# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ag-CD
_database_code_depnum_ccdc_archive 'CCDC 2108597'
_audit_update_record             
;
2021-10-20 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;

_vrf_RINTA01_ag-CD               
;
PROBLEM: The value of Rint is greater than 0.25
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT020_ag-CD               
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.522 Report
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT043_ag-CD               
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    5653.12 Check 
RESPONSE: Reported Mol. was determined from the result of elemental analysis 
which includes undetermined water molecules of crystallization, acetates and 
Na ions.
;
_vrf_PLAT602_ag-CD               
;
PROBLEM: Solvent Accessible VOID(S) in Structure ........          ! Check 
RESPONSE: PLATON SQUEEZE was applied.
;
_vrf_PLAT005_ag-CD               
;
PROBLEM: No Embedded Refinement Details Found  in the CIF     Please Do !  
RESPONSE: _shelx_res_file is included in the CIF.
;
_vrf_PLAT026_ag-CD               
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        35% Check 
RESPONSE: This problem might be becuase weak spots were not collected 
during integration.
;
_vrf_PLAT084_ag-CD               
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT342_ag-CD               
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.05662 Ang.  
RESPONSE: Due to low resolution diffraction because of severely 
disordered  structure.
;
_vrf_PLAT417_ag-CD               
;
PROBLEM: Short Inter D-H..H-D       H17G     ..H33O     .       2.09 Ang.  
RESPONSE: Due to extremely low resolution diffractions, molecular 
structure was refined as rigid bodies, which could not provide the 
atomicaly-precise structure.
;
_vrf_PLAT420_ag-CD               
;
PROBLEM: D-H Bond Without Acceptor  O2A      --H2A2     .     Please Check 
RESPONSE: Acepter water molecules were excluded by SQUEEZE.
;
_vrf_PLAT430_ag-CD               
;
PROBLEM: Short Inter D...A Contact  O1       ..O12W     .       2.65 Ang.  
RESPONSE: Due to the formation of hydrogen bond.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
;
 '2.33(Na1 1+), (C30 H54 Au3 Co2 N6 O12 S6 3-), 0.33(C36 H60 O30),
 2(C48 H80 O40), 7(H2 O1), [(Na1 1+), 0.333(C2 H3 O2 1-), 49(H2 O1)]'
;
_chemical_formula_sum            'C138.67 H347 Au3 Co2 N6 Na3.33 O158.67 S6'
_chemical_formula_weight         5615.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0001 0.0005 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -0.4732 3.6265 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.2163 0.3554 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0005 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0100 0.0078 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0017 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.0444 0.0408 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 2'
_space_group_name_Hall           'C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   48.5735(19)
_cell_length_b                   28.0506(11)
_cell_length_c                   52.270(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.789(7)
_cell_angle_gamma                90
_cell_volume                     70562(5)
_cell_formula_units_Z            12
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    505338
_cell_measurement_theta_min      0.229
_cell_measurement_theta_max      14.413

_exptl_crystal_description       'thin plate'
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             34968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.005
_exptl_absorpt_coefficient_mu    0.488
_shelx_estimated_absorpt_T_min   0.944
_shelx_estimated_absorpt_T_max   0.998
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3283
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
;
(ABSCOR; Higashi, 1995)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.4132
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SPring-8 BL02B1 bending magnet'
_diffrn_radiation_monochromator  Si(311)
_diffrn_measurement_device_type  
'RIGAKU 1/4chi goniometer with PILATUS3 X CdTe 1M'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_measurement_method       'w scan'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            505338
_diffrn_reflns_av_unetI/netI     0.4453
_diffrn_reflns_av_R_equivalents  0.5223
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_theta_min         0.229
_diffrn_reflns_theta_max         14.413
_diffrn_reflns_theta_full        14.354
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.975
_reflns_number_total             125978
_reflns_number_gt                43709
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.927
_reflns_Friedel_fraction_max     0.959
_reflns_Friedel_fraction_full    0.959

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX
_refine_special_details          
;
Global ISOR, SIMU, RIGU and BUMP restrains were applied. DFIX and SAME were 
applied to model D-glucose moiety in Ã â  Ã Â?-cyclodextrins. All nonhydrogen 
atoms except for water molecules of crystallization were refined 
anisotropically. All of the H atoms except those of water molecules 
were placed at the calculated positions by using a riding model. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1519P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 9073 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.094(17)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         125978
_refine_ls_number_parameters     7192
_refine_ls_number_restraints     51218
_refine_ls_R_factor_all          0.2797
_refine_ls_R_factor_gt           0.1375
_refine_ls_wR_factor_ref         0.3794
_refine_ls_wR_factor_gt          0.2947
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_restrained_S_all      0.938
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.49048(4) 0.19583(7) 0.37208(4) 0.0344(5) Uani 1 1 d . . . . .
Au2 Au 0.48836(4) 0.24862(8) 0.42085(4) 0.0385(4) Uani 1 1 d . . . . .
Au3 Au 0.47155(4) 0.30206(7) 0.37219(4) 0.0340(4) Uani 1 1 d . . . . .
S1 S 0.5308(2) 0.2279(4) 0.3614(2) 0.035(3) Uani 1 1 d . U . . .
S2 S 0.5357(2) 0.2565(4) 0.4219(2) 0.032(3) Uani 1 1 d . U . . .
S3 S 0.5136(3) 0.3383(4) 0.3788(3) 0.038(3) Uani 1 1 d . U . . .
Co1 Co 0.54978(13) 0.2867(2) 0.38589(14) 0.0368(16) Uani 1 1 d . U . . .
C1 C 0.5581(10) 0.1798(17) 0.3667(10) 0.039(8) Uani 1 1 d . U . . .
C2 C 0.5580(10) 0.1497(16) 0.3886(9) 0.035(9) Uani 1 1 d . U . . .
H2A H 0.560755 0.169059 0.404367 0.052 Uiso 1 1 calc R U . . .
H2B H 0.540088 0.133143 0.387487 0.052 Uiso 1 1 calc R U . . .
H2C H 0.572983 0.126291 0.389059 0.052 Uiso 1 1 calc R U . . .
C3 C 0.5541(12) 0.155(2) 0.3422(10) 0.053(11) Uani 1 1 d . U . . .
H3A H 0.554491 0.178692 0.328256 0.080 Uiso 1 1 calc R U . . .
H3B H 0.569071 0.132156 0.341646 0.080 Uiso 1 1 calc R U . . .
H3C H 0.536177 0.139008 0.340075 0.080 Uiso 1 1 calc R U . . .
C4 C 0.5846(10) 0.2129(17) 0.3679(10) 0.040(7) Uani 1 1 d . U . . .
H4 H 0.583675 0.230721 0.351259 0.048 Uiso 1 1 calc R U . . .
C5 C 0.6132(10) 0.1827(17) 0.3722(10) 0.039(8) Uani 1 1 d . U . . .
O1 O 0.6204(7) 0.1714(12) 0.3503(7) 0.040(7) Uani 1 1 d . U . . .
O2 O 0.6239(7) 0.1759(12) 0.3954(7) 0.043(8) Uani 1 1 d . U . . .
N1 N 0.5851(7) 0.2481(14) 0.3894(6) 0.031(6) Uani 1 1 d . U . . .
H1A H 0.599904 0.267935 0.389255 0.037 Uiso 1 1 calc R U . . .
H1B H 0.587215 0.232346 0.404759 0.037 Uiso 1 1 calc R U . . .
N2 N 0.5701(7) 0.3346(12) 0.4109(6) 0.033(7) Uani 1 1 d . U . . .
H2D H 0.586757 0.341319 0.405592 0.040 Uiso 1 1 calc R U . . .
H2E H 0.560075 0.362088 0.409947 0.040 Uiso 1 1 calc R U . . .
N3 N 0.5616(6) 0.3171(12) 0.3551(6) 0.026(6) Uani 1 1 d . U . . .
H3D H 0.580492 0.316365 0.356952 0.031 Uiso 1 1 calc R U . . .
H3E H 0.555334 0.298734 0.341191 0.031 Uiso 1 1 calc R U . . .
C6 C 0.5501(9) 0.2997(17) 0.4475(9) 0.035(7) Uani 1 1 d . U . . .
C7 C 0.5527(9) 0.2747(15) 0.4724(7) 0.033(9) Uani 1 1 d . U . . .
H7A H 0.534366 0.264120 0.475775 0.049 Uiso 1 1 calc R U . . .
H7B H 0.564920 0.246975 0.471787 0.049 Uiso 1 1 calc R U . . .
H7C H 0.560731 0.296313 0.486142 0.049 Uiso 1 1 calc R U . . .
C8 C 0.5295(9) 0.3450(17) 0.4487(9) 0.043(10) Uani 1 1 d . U . . .
H8A H 0.527557 0.362053 0.432216 0.064 Uiso 1 1 calc R U . . .
H8B H 0.511237 0.333754 0.452091 0.064 Uiso 1 1 calc R U . . .
H8C H 0.537294 0.366527 0.462618 0.064 Uiso 1 1 calc R U . . .
C9 C 0.5750(10) 0.3207(14) 0.4366(8) 0.034(6) Uani 1 1 d . U . . .
H9 H 0.587708 0.292735 0.436253 0.041 Uiso 1 1 calc R U . . .
C10 C 0.5917(10) 0.3551(17) 0.4570(10) 0.037(8) Uani 1 1 d . U . . .
O3 O 0.6031(7) 0.3390(13) 0.4767(7) 0.051(8) Uani 1 1 d . U . . .
O4 O 0.5923(8) 0.3959(13) 0.4488(7) 0.055(8) Uani 1 1 d . U . . .
C11 C 0.5199(10) 0.3638(16) 0.3457(9) 0.035(7) Uani 1 1 d . U . . .
C12 C 0.5075(10) 0.4158(16) 0.3474(9) 0.039(10) Uani 1 1 d . U . . .
H12A H 0.517840 0.432731 0.362111 0.059 Uiso 1 1 calc R U . . .
H12B H 0.509210 0.433189 0.331457 0.059 Uiso 1 1 calc R U . . .
H12C H 0.487910 0.413616 0.349810 0.059 Uiso 1 1 calc R U . . .
C13 C 0.5065(8) 0.3359(19) 0.3250(10) 0.051(11) Uani 1 1 d . U . . .
H13A H 0.486343 0.336702 0.325201 0.077 Uiso 1 1 calc R U . . .
H13B H 0.510775 0.348770 0.308544 0.077 Uiso 1 1 calc R U . . .
H13C H 0.513056 0.302868 0.326891 0.077 Uiso 1 1 calc R U . . .
C14 C 0.5526(10) 0.3675(17) 0.3490(9) 0.038(7) Uani 1 1 d . U . . .
H14 H 0.559437 0.389041 0.363674 0.046 Uiso 1 1 calc R U . . .
C15 C 0.5617(10) 0.3872(18) 0.3227(9) 0.036(7) Uani 1 1 d . U . . .
O5 O 0.5628(7) 0.3555(12) 0.3065(6) 0.045(7) Uani 1 1 d . U . . .
O6 O 0.5650(7) 0.4276(12) 0.3233(7) 0.049(8) Uani 1 1 d . U . . .
S4 S 0.4505(2) 0.1596(4) 0.3790(2) 0.034(3) Uani 1 1 d . U . . .
S5 S 0.4416(3) 0.2405(5) 0.4221(2) 0.042(3) Uani 1 1 d . U . . .
S6 S 0.4284(2) 0.2698(4) 0.3610(2) 0.035(3) Uani 1 1 d . U . . .
Co2 Co 0.41625(13) 0.2104(2) 0.38580(14) 0.0371(16) Uani 1 1 d . U . . .
C16 C 0.4368(10) 0.1300(17) 0.3470(9) 0.040(8) Uani 1 1 d . U . . .
C17 C 0.4451(8) 0.1632(17) 0.3249(9) 0.043(10) Uani 1 1 d . U . . .
H17A H 0.436069 0.194280 0.325762 0.065 Uiso 1 1 calc R U . . .
H17B H 0.465295 0.167375 0.327246 0.065 Uiso 1 1 calc R U . . .
H17C H 0.439053 0.148441 0.308119 0.065 Uiso 1 1 calc R U . . .
C18 C 0.4478(11) 0.0795(18) 0.3503(11) 0.050(11) Uani 1 1 d . U . . .
H18A H 0.440439 0.064393 0.364930 0.075 Uiso 1 1 calc R U . . .
H18B H 0.441871 0.061217 0.334570 0.075 Uiso 1 1 calc R U . . .
H18C H 0.468114 0.080151 0.353698 0.075 Uiso 1 1 calc R U . . .
C19 C 0.4035(11) 0.1327(18) 0.3504(10) 0.044(7) Uani 1 1 d . U . . .
H19 H 0.399855 0.111550 0.364930 0.053 Uiso 1 1 calc R U . . .
C20 C 0.3869(11) 0.113(2) 0.3235(10) 0.046(7) Uani 1 1 d . U . . .
O7 O 0.3825(8) 0.0690(13) 0.3232(7) 0.055(8) Uani 1 1 d . U . . .
O8 O 0.3797(7) 0.1424(12) 0.3056(7) 0.047(7) Uani 1 1 d . U . . .
N4 N 0.3967(7) 0.1816(13) 0.3560(7) 0.037(7) Uani 1 1 d . U . . .
H4A H 0.378236 0.182740 0.357532 0.044 Uiso 1 1 calc R U . . .
H4B H 0.399317 0.199821 0.342180 0.044 Uiso 1 1 calc R U . . .
N5 N 0.4051(9) 0.1622(14) 0.4107(8) 0.043(7) Uani 1 1 d . U . . .
H5A H 0.387197 0.153411 0.405175 0.051 Uiso 1 1 calc R U . . .
H5B H 0.415850 0.135872 0.409869 0.051 Uiso 1 1 calc R U . . .
N6 N 0.3834(8) 0.2539(14) 0.3900(7) 0.038(7) Uani 1 1 d . U . . .
H6A H 0.368299 0.235233 0.391051 0.046 Uiso 1 1 calc R U . . .
H6B H 0.387309 0.269564 0.405299 0.046 Uiso 1 1 calc R U . . .
C21 C 0.4354(9) 0.1955(17) 0.4473(9) 0.034(7) Uani 1 1 d . U . . .
C22 C 0.4373(10) 0.2203(16) 0.4715(7) 0.038(9) Uani 1 1 d . U . . .
H22A H 0.456430 0.231367 0.476431 0.057 Uiso 1 1 calc R U . . .
H22B H 0.424694 0.247664 0.469770 0.057 Uiso 1 1 calc R U . . .
H22C H 0.432171 0.198652 0.484789 0.057 Uiso 1 1 calc R U . . .
C23 C 0.4570(10) 0.1510(16) 0.4497(9) 0.035(9) Uani 1 1 d . U . . .
H23A H 0.455575 0.134207 0.433099 0.052 Uiso 1 1 calc R U . . .
H23B H 0.476002 0.162866 0.454302 0.052 Uiso 1 1 calc R U . . .
H23C H 0.452493 0.128941 0.463064 0.052 Uiso 1 1 calc R U . . .
C24 C 0.4068(10) 0.1761(18) 0.4371(10) 0.043(7) Uani 1 1 d . U . . .
H24 H 0.395302 0.205806 0.435730 0.051 Uiso 1 1 calc R U . . .
C25 C 0.3932(11) 0.147(2) 0.4570(11) 0.047(8) Uani 1 1 d . U . . .
O9 O 0.3932(8) 0.1036(14) 0.4501(7) 0.058(8) Uani 1 1 d . U . . .
O10 O 0.3908(8) 0.1569(13) 0.4771(7) 0.053(8) Uani 1 1 d . U . . .
C26 C 0.4045(10) 0.3144(16) 0.3666(8) 0.043(8) Uani 1 1 d D U . . .
C27 C 0.4087(11) 0.3511(18) 0.3889(9) 0.043(10) Uani 1 1 d . U . . .
H27A H 0.412987 0.334273 0.405433 0.065 Uiso 1 1 calc R U . . .
H27B H 0.424043 0.372472 0.386490 0.065 Uiso 1 1 calc R U . . .
H27C H 0.391615 0.369726 0.389022 0.065 Uiso 1 1 calc R U . . .
C28 C 0.3980(10) 0.3448(16) 0.3424(8) 0.039(9) Uani 1 1 d D U . . .
H28A H 0.394984 0.324137 0.327157 0.059 Uiso 1 1 calc R U . . .
H28B H 0.381145 0.363620 0.343472 0.059 Uiso 1 1 calc R U . . .
H28C H 0.413573 0.366366 0.340940 0.059 Uiso 1 1 calc R U . . .
C29 C 0.3760(9) 0.2887(17) 0.3701(10) 0.043(7) Uani 1 1 d D U . . .
H29 H 0.371483 0.269342 0.354044 0.051 Uiso 1 1 calc R U . . .
C30 C 0.3484(9) 0.3146(16) 0.3730(11) 0.040(8) Uani 1 1 d D U . . .
O11 O 0.3459(7) 0.3239(11) 0.3941(7) 0.038(7) Uani 1 1 d . U . . .
O12 O 0.3356(7) 0.3271(12) 0.3527(7) 0.041(7) Uani 1 1 d . U . . .
Au4 Au 0.19961(4) 0.01103(7) 0.37242(4) 0.0359(5) Uani 1 1 d . . . . .
Au5 Au 0.23847(4) -0.00127(7) 0.42100(4) 0.0375(5) Uani 1 1 d . . . . .
Au6 Au 0.26255(4) -0.01339(7) 0.37218(4) 0.0370(5) Uani 1 1 d . . . . .
S7 S 0.1930(2) -0.0672(4) 0.3608(2) 0.033(3) Uani 1 1 d . U . . .
S8 S 0.2185(2) -0.0759(4) 0.4221(3) 0.037(3) Uani 1 1 d . U . . .
S9 S 0.2617(2) -0.0946(4) 0.3789(2) 0.032(3) Uani 1 1 d . U . . .
S10 S 0.2029(3) 0.0922(5) 0.3798(3) 0.041(3) Uani 1 1 d . U . . .
S11 S 0.2585(3) 0.0730(5) 0.4229(3) 0.041(3) Uani 1 1 d . U . . .
S12 S 0.2651(2) 0.0655(4) 0.3617(2) 0.035(3) Uani 1 1 d . U . . .
Co3 Co 0.21924(13) -0.1208(2) 0.38587(13) 0.0360(16) Uani 1 1 d . U . . .
N7 N 0.1818(8) -0.1525(14) 0.3908(7) 0.036(7) Uani 1 1 d . U . . .
H7D H 0.183770 -0.184811 0.390821 0.043 Uiso 1 1 calc R U . . .
H7E H 0.176886 -0.143676 0.406310 0.043 Uiso 1 1 calc R U . . .
N8 N 0.2212(8) -0.1585(14) 0.3546(8) 0.041(7) Uani 1 1 d . U . . .
H8D H 0.211383 -0.185903 0.355769 0.050 Uiso 1 1 calc R U . . .
H8E H 0.212645 -0.141866 0.340810 0.050 Uiso 1 1 calc R U . . .
N9 N 0.2381(8) -0.1706(14) 0.4120(7) 0.039(7) Uani 1 1 d . U . . .
H9A H 0.230958 -0.199803 0.407245 0.047 Uiso 1 1 calc R U . . .
H9B H 0.256530 -0.171454 0.410379 0.047 Uiso 1 1 calc R U . . .
C31 C 0.1563(9) -0.0850(16) 0.3663(9) 0.033(7) Uani 1 1 d . U . . .
C32 C 0.1390(9) -0.0724(16) 0.3406(9) 0.035(9) Uani 1 1 d . U . . .
H32A H 0.137039 -0.037659 0.339197 0.053 Uiso 1 1 calc R U . . .
H32B H 0.148245 -0.084372 0.326379 0.053 Uiso 1 1 calc R U . . .
H32C H 0.120554 -0.086957 0.339788 0.053 Uiso 1 1 calc R U . . .
C33 C 0.1454(9) -0.0662(16) 0.3907(8) 0.030(9) Uani 1 1 d . U . . .
H33A H 0.157921 -0.076218 0.406025 0.045 Uiso 1 1 calc R U . . .
H33B H 0.144488 -0.031307 0.390067 0.045 Uiso 1 1 calc R U . . .
H33C H 0.126767 -0.079095 0.391507 0.045 Uiso 1 1 calc R U . . .
C34 C 0.1606(10) -0.1385(17) 0.3704(10) 0.040(7) Uani 1 1 d . U . . .
H34 H 0.166795 -0.150681 0.354130 0.048 Uiso 1 1 calc R U . . .
C35 C 0.1313(11) -0.1646(18) 0.3723(11) 0.041(8) Uani 1 1 d . U . . .
O13 O 0.1192(7) -0.1751(13) 0.3507(7) 0.047(8) Uani 1 1 d . U . . .
O14 O 0.1283(7) -0.1728(12) 0.3937(7) 0.046(8) Uani 1 1 d . U . . .
C36 C 0.2390(10) -0.1152(18) 0.4465(10) 0.042(8) Uani 1 1 d . U . . .
C37 C 0.2328(12) -0.100(2) 0.4720(11) 0.062(12) Uani 1 1 d . U . . .
H37A H 0.236307 -0.066075 0.474205 0.093 Uiso 1 1 calc R U . . .
H37B H 0.213218 -0.106959 0.473319 0.093 Uiso 1 1 calc R U . . .
H37C H 0.244626 -0.117963 0.485419 0.093 Uiso 1 1 calc R U . . .
C38 C 0.2743(11) -0.1029(19) 0.4476(10) 0.049(11) Uani 1 1 d . U . . .
H38A H 0.277885 -0.069779 0.453057 0.074 Uiso 1 1 calc R U . . .
H38B H 0.285034 -0.124336 0.460028 0.074 Uiso 1 1 calc R U . . .
H38C H 0.279874 -0.107660 0.430487 0.074 Uiso 1 1 calc R U . . .
C39 C 0.2356(10) -0.1636(17) 0.4385(8) 0.043(7) Uani 1 1 d . U . . .
H39 H 0.215183 -0.168318 0.438611 0.052 Uiso 1 1 calc R U . . .
C40 C 0.2474(10) -0.2018(18) 0.4564(10) 0.041(8) Uani 1 1 d . U . . .
O15 O 0.2395(7) -0.2036(12) 0.4770(6) 0.046(8) Uani 1 1 d . U . . .
O16 O 0.2671(7) -0.2249(12) 0.4474(7) 0.051(8) Uani 1 1 d . U . . .
C41 C 0.2665(11) -0.1180(19) 0.3488(10) 0.047(9) Uani 1 1 d . U . . .
C42 C 0.2536(12) -0.092(2) 0.3250(11) 0.055(11) Uani 1 1 d . U . . .
H42A H 0.234541 -0.083133 0.326948 0.083 Uiso 1 1 calc R U . . .
H42B H 0.264481 -0.063400 0.322635 0.083 Uiso 1 1 calc R U . . .
H42C H 0.253516 -0.112976 0.309956 0.083 Uiso 1 1 calc R U . . .
C43 C 0.2957(10) -0.1335(17) 0.3481(10) 0.045(10) Uani 1 1 d . U . . .
H43A H 0.302575 -0.150090 0.364161 0.067 Uiso 1 1 calc R U . . .
H43B H 0.296332 -0.155154 0.333425 0.067 Uiso 1 1 calc R U . . .
H43C H 0.307297 -0.105578 0.346104 0.067 Uiso 1 1 calc R U . . .
C44 C 0.2495(10) -0.1711(17) 0.3496(10) 0.040(7) Uani 1 1 d . U . . .
H44 H 0.259073 -0.193172 0.363008 0.048 Uiso 1 1 calc R U . . .
C45 C 0.2466(11) -0.1932(18) 0.3218(10) 0.043(8) Uani 1 1 d . U . . .
O19 O 0.1791(7) 0.2268(12) 0.3248(7) 0.052(8) Uani 1 1 d . U . . .
O20 O 0.2131(7) 0.1897(13) 0.3066(7) 0.052(7) Uani 1 1 d . U . . .
O17 O 0.2283(7) -0.1903(11) 0.3034(6) 0.044(7) Uani 1 1 d . U . . .
O18 O 0.2659(7) -0.2290(11) 0.3232(7) 0.046(8) Uani 1 1 d . U . . .
Co4 Co 0.24714(13) 0.1178(2) 0.38682(14) 0.0364(16) Uani 1 1 d . U . . .
N10 N 0.2359(8) 0.1578(14) 0.3551(8) 0.041(7) Uani 1 1 d . U . . .
H10A H 0.244840 0.186361 0.356958 0.049 Uiso 1 1 calc R U . . .
H10B H 0.241182 0.142846 0.341111 0.049 Uiso 1 1 calc R U . . .
N11 N 0.2370(9) 0.1630(15) 0.4101(8) 0.047(7) Uani 1 1 d . U . . .
H11A H 0.241629 0.192216 0.404430 0.056 Uiso 1 1 calc R U . . .
H11B H 0.218138 0.162354 0.409060 0.056 Uiso 1 1 calc R U . . .
N12 N 0.2853(8) 0.1499(14) 0.3905(7) 0.037(7) Uani 1 1 d . U . . .
H12D H 0.282795 0.181975 0.391654 0.044 Uiso 1 1 calc R U . . .
H12E H 0.295192 0.140120 0.405599 0.044 Uiso 1 1 calc R U . . .
C46 C 0.1891(11) 0.1203(18) 0.3493(10) 0.043(8) Uani 1 1 d . U . . .
C47 C 0.1574(10) 0.1310(17) 0.3486(10) 0.041(10) Uani 1 1 d . U . . .
H47A H 0.147003 0.100944 0.347510 0.062 Uiso 1 1 calc R U . . .
H47B H 0.154319 0.148107 0.364287 0.062 Uiso 1 1 calc R U . . .
H47C H 0.150922 0.150669 0.333433 0.062 Uiso 1 1 calc R U . . .
C48 C 0.1959(11) 0.0921(18) 0.3231(10) 0.047(10) Uani 1 1 d . U . . .
H48A H 0.185188 0.062457 0.321011 0.070 Uiso 1 1 calc R U . . .
H48B H 0.190804 0.112468 0.307921 0.070 Uiso 1 1 calc R U . . .
H48C H 0.215801 0.084735 0.324714 0.070 Uiso 1 1 calc R U . . .
C49 C 0.2065(11) 0.1656(19) 0.3509(10) 0.047(7) Uani 1 1 d . U . . .
H49 H 0.201518 0.185187 0.365629 0.056 Uiso 1 1 calc R U . . .
C50 C 0.1984(12) 0.195(2) 0.3250(11) 0.054(8) Uani 1 1 d . U . . .
C51 C 0.2450(10) 0.1114(16) 0.4469(9) 0.035(8) Uani 1 1 d . U . . .
C52 C 0.2129(9) 0.1000(15) 0.4486(9) 0.031(9) Uani 1 1 d . U . . .
H52A H 0.211178 0.067671 0.455216 0.046 Uiso 1 1 calc R U . . .
H52B H 0.205692 0.122957 0.460146 0.046 Uiso 1 1 calc R U . . .
H52C H 0.202202 0.102530 0.431301 0.046 Uiso 1 1 calc R U . . .
C53 C 0.2591(10) 0.0989(17) 0.4747(8) 0.043(10) Uani 1 1 d . U . . .
H53A H 0.255301 0.065467 0.478480 0.064 Uiso 1 1 calc R U . . .
H53B H 0.279207 0.103710 0.475856 0.064 Uiso 1 1 calc R U . . .
H53C H 0.251617 0.119511 0.487221 0.064 Uiso 1 1 calc R U . . .
C54 C 0.2479(11) 0.1601(18) 0.4369(10) 0.045(7) Uani 1 1 d . U . . .
H54 H 0.268393 0.164295 0.437156 0.055 Uiso 1 1 calc R U . . .
C55 C 0.2393(12) 0.201(2) 0.4582(11) 0.055(8) Uani 1 1 d . U . . .
O21 O 0.2557(8) 0.2027(13) 0.4785(7) 0.058(8) Uani 1 1 d . U . . .
O22 O 0.2187(8) 0.2226(13) 0.4497(7) 0.057(8) Uani 1 1 d . U . . .
C56 C 0.3028(10) 0.0847(16) 0.3667(9) 0.034(7) Uani 1 1 d . U . . .
C59 C 0.3005(11) 0.1413(18) 0.3710(10) 0.042(7) Uani 1 1 d . U . . .
H59 H 0.289410 0.154101 0.355010 0.050 Uiso 1 1 calc R U . . .
C57 C 0.3142(9) 0.0715(17) 0.3411(9) 0.037(9) Uani 1 1 d . U . . .
H57A H 0.302189 0.085373 0.326450 0.055 Uiso 1 1 calc R U . . .
H57B H 0.333090 0.084047 0.341629 0.055 Uiso 1 1 calc R U . . .
H57C H 0.314503 0.036741 0.339303 0.055 Uiso 1 1 calc R U . . .
C58 C 0.3215(9) 0.0631(17) 0.3897(9) 0.037(9) Uani 1 1 d . U . . .
H58A H 0.314212 0.071548 0.405742 0.055 Uiso 1 1 calc R U . . .
H58B H 0.321776 0.028379 0.387928 0.055 Uiso 1 1 calc R U . . .
H58C H 0.340364 0.075685 0.390255 0.055 Uiso 1 1 calc R U . . .
C60 C 0.3288(10) 0.1642(17) 0.3726(10) 0.038(8) Uani 1 1 d . U . . .
O23 O 0.3418(7) 0.1697(12) 0.3949(7) 0.040(7) Uani 1 1 d . U . . .
O24 O 0.3370(7) 0.1759(11) 0.3520(6) 0.037(7) Uani 1 1 d . U . . .
Au7 Au 0.20948(4) 0.45840(7) 0.37218(4) 0.0355(5) Uani 1 1 d . . . . .
Au8 Au 0.23816(4) 0.49921(7) 0.42089(4) 0.0366(5) Uani 1 1 d . . . . .
Au9 Au 0.25291(4) 0.53934(7) 0.37196(4) 0.0360(5) Uani 1 1 d . . . . .
S13 S 0.1711(2) 0.5008(4) 0.3789(2) 0.039(3) Uani 1 1 d . U . . .
S14 S 0.2104(3) 0.5641(5) 0.4222(3) 0.043(3) Uani 1 1 d . U . . .
S15 S 0.2146(3) 0.5860(5) 0.3606(3) 0.040(3) Uani 1 1 d . U . . .
S16 S 0.2447(2) 0.4120(4) 0.3610(3) 0.038(3) Uani 1 1 d . U . . .
S17 S 0.2663(3) 0.4328(5) 0.4225(3) 0.041(3) Uani 1 1 d . U . . .
S18 S 0.2930(2) 0.4967(5) 0.3793(2) 0.038(3) Uani 1 1 d . U . . .
Co5 Co 0.18026(13) 0.5793(2) 0.38567(15) 0.0419(17) Uani 1 1 d . U . . .
N13 N 0.1534(8) 0.5897(14) 0.3548(8) 0.042(7) Uani 1 1 d . U . . .
H13D H 0.143993 0.617213 0.356891 0.051 Uiso 1 1 calc R U . . .
H13E H 0.162819 0.593752 0.341088 0.051 Uiso 1 1 calc R U . . .
N14 N 0.1534(8) 0.5817(14) 0.4107(7) 0.037(7) Uani 1 1 d . U . . .
H14A H 0.141223 0.605609 0.405690 0.045 Uiso 1 1 calc R U . . .
H14B H 0.143582 0.553953 0.409090 0.045 Uiso 1 1 calc R U . . .
N15 N 0.1836(8) 0.6492(13) 0.3904(8) 0.039(7) Uani 1 1 d . U . . .
H15A H 0.166477 0.661720 0.391220 0.047 Uiso 1 1 calc R U . . .
H15B H 0.194471 0.655486 0.405565 0.047 Uiso 1 1 calc R U . . .
C61 C 0.1478(11) 0.4986(19) 0.3482(10) 0.047(8) Uani 1 1 d . U . . .
C62 C 0.1634(9) 0.5026(16) 0.3232(8) 0.031(8) Uani 1 1 d . U . . .
H62A H 0.176264 0.529784 0.325229 0.047 Uiso 1 1 calc R U . . .
H62B H 0.173900 0.473272 0.321340 0.047 Uiso 1 1 calc R U . . .
H62C H 0.149755 0.507346 0.307867 0.047 Uiso 1 1 calc R U . . .
C63 C 0.1253(12) 0.458(2) 0.3510(11) 0.060(11) Uani 1 1 d . U . . .
H63A H 0.118136 0.461346 0.367585 0.090 Uiso 1 1 calc R U . . .
H63B H 0.109891 0.460387 0.336890 0.090 Uiso 1 1 calc R U . . .
H63C H 0.134036 0.426313 0.350362 0.090 Uiso 1 1 calc R U . . .
C64 C 0.1327(10) 0.5500(18) 0.3488(10) 0.044(7) Uani 1 1 d . U . . .
H64 H 0.120999 0.548977 0.363144 0.052 Uiso 1 1 calc R U . . .
C65 C 0.1120(11) 0.5611(18) 0.3225(10) 0.043(8) Uani 1 1 d . U . . .
O25 O 0.0881(7) 0.5466(12) 0.3231(6) 0.046(7) Uani 1 1 d . U . . .
O26 O 0.1223(7) 0.5783(11) 0.3038(6) 0.039(7) Uani 1 1 d . U . . .
C66 C 0.1884(9) 0.5621(16) 0.4460(9) 0.033(8) Uani 1 1 d . U . . .
C67 C 0.2009(10) 0.5726(18) 0.4712(8) 0.046(10) Uani 1 1 d . U . . .
H67A H 0.217792 0.553490 0.475290 0.070 Uiso 1 1 calc R U . . .
H67B H 0.205685 0.606567 0.472417 0.070 Uiso 1 1 calc R U . . .
H67C H 0.187930 0.565156 0.483457 0.070 Uiso 1 1 calc R U . . .
C68 C 0.1750(10) 0.4967(17) 0.4475(9) 0.042(10) Uani 1 1 d . U . . .
H68A H 0.165962 0.487013 0.430406 0.063 Uiso 1 1 calc R U . . .
H68B H 0.190729 0.475434 0.452988 0.063 Uiso 1 1 calc R U . . .
H68C H 0.161631 0.494716 0.459934 0.063 Uiso 1 1 calc R U . . .
C69 C 0.1633(10) 0.5885(18) 0.4381(9) 0.042(7) Uani 1 1 d . U . . .
H69 H 0.170980 0.621532 0.437839 0.050 Uiso 1 1 calc R U . . .
C70 C 0.1393(11) 0.5965(19) 0.4548(10) 0.046(8) Uani 1 1 d . U . . .
O27 O 0.1487(7) 0.6143(13) 0.4767(7) 0.051(8) Uani 1 1 d . U . . .
O28 O 0.1184(7) 0.5734(12) 0.4498(6) 0.047(8) Uani 1 1 d . U . . .
C71 C 0.2248(10) 0.6512(17) 0.3672(9) 0.037(7) Uani 1 1 d . U . . .
C72 C 0.2349(10) 0.6645(16) 0.3422(9) 0.035(9) Uani 1 1 d . U . . .
H72A H 0.220364 0.657399 0.327786 0.053 Uiso 1 1 calc R U . . .
H72B H 0.239264 0.698586 0.342250 0.053 Uiso 1 1 calc R U . . .
H72C H 0.251622 0.646047 0.340209 0.053 Uiso 1 1 calc R U . . .
C73 C 0.2452(8) 0.6610(14) 0.3883(8) 0.024(8) Uani 1 1 d . U . . .
H73A H 0.262292 0.643601 0.386166 0.036 Uiso 1 1 calc R U . . .
H73B H 0.249097 0.695290 0.389016 0.036 Uiso 1 1 calc R U . . .
H73C H 0.238589 0.650876 0.404297 0.036 Uiso 1 1 calc R U . . .
C74 C 0.1970(10) 0.6746(16) 0.3668(9) 0.036(6) Uani 1 1 d . U . . .
H74 H 0.185178 0.668278 0.350012 0.043 Uiso 1 1 calc R U . . .
C75 C 0.1976(10) 0.7331(18) 0.3733(11) 0.039(8) Uani 1 1 d . U . . .
O29 O 0.1961(6) 0.7488(12) 0.3513(6) 0.038(6) Uani 1 1 d . U . . .
O30 O 0.2025(6) 0.7433(12) 0.3938(6) 0.041(7) Uani 1 1 d . U . . .
Co6 Co 0.28613(13) 0.4182(2) 0.38657(15) 0.0408(17) Uani 1 1 d . U . . .
N16 N 0.2836(7) 0.3483(14) 0.3886(8) 0.042(7) Uani 1 1 d . U . . .
H16A H 0.300966 0.336304 0.388415 0.050 Uiso 1 1 calc R U . . .
H16B H 0.278522 0.340927 0.404307 0.050 Uiso 1 1 calc R U . . .
N17 N 0.3200(8) 0.4124(14) 0.4102(7) 0.040(7) Uani 1 1 d . U . . .
H17D H 0.329765 0.387383 0.404914 0.048 Uiso 1 1 calc R U . . .
H17E H 0.330238 0.439131 0.408731 0.048 Uiso 1 1 calc R U . . .
N18 N 0.3017(8) 0.4051(13) 0.3550(8) 0.044(7) Uani 1 1 d . U . . .
H18D H 0.310917 0.376744 0.356649 0.053 Uiso 1 1 calc R U . . .
H18E H 0.287627 0.402196 0.341689 0.053 Uiso 1 1 calc R U . . .
C76 C 0.2358(11) 0.3474(18) 0.3669(10) 0.043(8) Uani 1 1 d . U . . .
C77 C 0.2232(8) 0.3410(19) 0.3889(10) 0.050(10) Uani 1 1 d . U . . .
H77A H 0.235861 0.351273 0.404093 0.075 Uiso 1 1 calc R U . . .
H77B H 0.206078 0.359891 0.387533 0.075 Uiso 1 1 calc R U . . .
H77C H 0.218675 0.307170 0.390667 0.075 Uiso 1 1 calc R U . . .
C78 C 0.2184(10) 0.3329(16) 0.3421(9) 0.036(9) Uani 1 1 d . U . . .
H78A H 0.228864 0.338650 0.327626 0.053 Uiso 1 1 calc R U . . .
H78B H 0.213861 0.298974 0.342860 0.053 Uiso 1 1 calc R U . . .
H78C H 0.201264 0.351695 0.339727 0.053 Uiso 1 1 calc R U . . .
C79 C 0.2659(10) 0.3242(13) 0.3701(10) 0.041(7) Uani 1 1 d D U . . .
H79 H 0.273235 0.329922 0.353432 0.049 Uiso 1 1 calc R U . . .
C80 C 0.2639(10) 0.2695(13) 0.3729(10) 0.037(8) Uani 1 1 d D U . . .
O31 O 0.2601(7) 0.2489(14) 0.3514(6) 0.050(8) Uani 1 1 d . U . . .
O32 O 0.2658(6) 0.2546(12) 0.3949(6) 0.039(7) Uani 1 1 d . U . . .
C81 C 0.2968(10) 0.4385(17) 0.4454(9) 0.039(8) Uani 1 1 d . U . . .
C82 C 0.3083(10) 0.4951(18) 0.4477(10) 0.049(10) Uani 1 1 d . U . . .
H82A H 0.293557 0.515852 0.452484 0.073 Uiso 1 1 calc R U . . .
H82B H 0.324575 0.497148 0.460976 0.073 Uiso 1 1 calc R U . . .
H82C H 0.313403 0.505362 0.431071 0.073 Uiso 1 1 calc R U . . .
C83 C 0.2868(11) 0.4247(19) 0.4709(10) 0.049(11) Uani 1 1 d . U . . .
H83A H 0.272976 0.447828 0.474999 0.074 Uiso 1 1 calc R U . . .
H83B H 0.278474 0.392849 0.469270 0.074 Uiso 1 1 calc R U . . .
H83C H 0.302639 0.424545 0.484684 0.074 Uiso 1 1 calc R U . . .
C84 C 0.3175(11) 0.4052(19) 0.4384(10) 0.045(7) Uani 1 1 d . U . . .
H84 H 0.309211 0.372802 0.439639 0.054 Uiso 1 1 calc R U . . .
C85 C 0.3477(12) 0.406(2) 0.4614(11) 0.051(9) Uani 1 1 d . U . . .
O33 O 0.3443(9) 0.3801(15) 0.4783(8) 0.069(10) Uani 1 1 d . U . . .
O34 O 0.3672(8) 0.4233(13) 0.4513(7) 0.058(9) Uani 1 1 d . U . . .
C86 C 0.3077(11) 0.4947(19) 0.3481(10) 0.047(8) Uani 1 1 d . U . . .
C87 C 0.3280(11) 0.5356(19) 0.3475(10) 0.049(10) Uani 1 1 d . U . . .
H87A H 0.317957 0.565942 0.347640 0.074 Uiso 1 1 calc R U . . .
H87B H 0.342165 0.533876 0.362708 0.074 Uiso 1 1 calc R U . . .
H87C H 0.336884 0.533551 0.331816 0.074 Uiso 1 1 calc R U . . .
C88 C 0.2842(9) 0.4940(14) 0.3243(9) 0.040(9) Uani 1 1 d . U . . .
H88A H 0.271850 0.466836 0.325749 0.060 Uiso 1 1 calc R U . . .
H88B H 0.273515 0.523680 0.323847 0.060 Uiso 1 1 calc R U . . .
H88C H 0.292629 0.491088 0.308317 0.060 Uiso 1 1 calc R U . . .
C89 C 0.3228(11) 0.4458(18) 0.3479(10) 0.044(7) Uani 1 1 d . U . . .
H89 H 0.338221 0.446732 0.362619 0.053 Uiso 1 1 calc R U . . .
C90 C 0.3356(12) 0.433(2) 0.3250(11) 0.051(8) Uani 1 1 d . U . . .
O35 O 0.3608(7) 0.4478(12) 0.3243(7) 0.050(8) Uani 1 1 d . U . . .
O36 O 0.3207(7) 0.4160(12) 0.3056(7) 0.050(7) Uani 1 1 d . U . . .
O1A O 0.1121(7) 0.0428(11) 0.2681(6) 0.051(6) Uani 1 1 d D U . . .
C1A C 0.1211(6) 0.0780(10) 0.2878(6) 0.060(7) Uani 1 1 d D U . . .
H1A1 H 0.131117 0.061307 0.303252 0.072 Uiso 1 1 calc R U . . .
C2A C 0.0969(7) 0.1016(12) 0.2952(7) 0.059(7) Uani 1 1 d D U . . .
H2A1 H 0.106852 0.124860 0.307655 0.071 Uiso 1 1 calc R U . . .
O2A O 0.0793(8) 0.0831(12) 0.3111(7) 0.095(11) Uani 1 1 d D U . . .
H2A2 H 0.082039 0.053619 0.312808 0.143 Uiso 1 1 calc R U . . .
C3A C 0.0826(6) 0.1373(12) 0.2761(7) 0.057(8) Uani 1 1 d D U . . .
H3A1 H 0.074021 0.118884 0.260654 0.068 Uiso 1 1 calc R U . . .
O3A O 0.0616(6) 0.1615(12) 0.2855(7) 0.060(9) Uani 1 1 d D U . . .
H3A2 H 0.049952 0.141961 0.289780 0.090 Uiso 1 1 calc R U . . .
C4A C 0.1044(7) 0.1679(12) 0.2674(9) 0.060(7) Uani 1 1 d D U . . .
H4A1 H 0.112979 0.189852 0.281371 0.071 Uiso 1 1 calc R U . . .
C5A C 0.1265(6) 0.1356(13) 0.2570(7) 0.060(7) Uani 1 1 d D U . . .
H5A1 H 0.117784 0.114283 0.242758 0.072 Uiso 1 1 calc R U . . .
C6A C 0.1497(9) 0.1659(13) 0.2484(10) 0.065(9) Uani 1 1 d D U . . .
H6A1 H 0.141565 0.190876 0.236293 0.078 Uiso 1 1 calc R U . . .
H6A2 H 0.160132 0.181852 0.263626 0.078 Uiso 1 1 calc R U . . .
O5A O 0.1681(8) 0.1370(15) 0.2361(8) 0.085(11) Uani 1 1 d D U . . .
H5A2 H 0.180099 0.154404 0.230533 0.128 Uiso 1 1 calc R U . . .
O4A O 0.1398(5) 0.1092(10) 0.2779(6) 0.061(7) Uani 1 1 d D U . . .
O6A O 0.0921(8) 0.1941(11) 0.2439(7) 0.069(7) Uani 1 1 d D U . . .
C7A C 0.0874(6) 0.2435(12) 0.2470(6) 0.082(8) Uani 1 1 d D U . . .
H7A1 H 0.091017 0.250123 0.265984 0.099 Uiso 1 1 calc R U . . .
C8A C 0.0583(6) 0.2542(16) 0.2389(6) 0.084(8) Uani 1 1 d D U . . .
H8A1 H 0.055851 0.287414 0.245143 0.101 Uiso 1 1 calc R U . . .
O7A O 0.0369(7) 0.2285(15) 0.2476(8) 0.093(11) Uani 1 1 d D U . . .
H7A2 H 0.043585 0.206165 0.257171 0.140 Uiso 1 1 calc R U . . .
C9A C 0.0527(6) 0.2580(18) 0.2096(6) 0.089(9) Uani 1 1 d D U . . .
H9A1 H 0.055655 0.225649 0.202472 0.107 Uiso 1 1 calc R U . . .
O8A O 0.0253(6) 0.2690(16) 0.2030(7) 0.096(11) Uani 1 1 d D U . . .
H8A2 H 0.023883 0.295288 0.195186 0.144 Uiso 1 1 calc R U . . .
C10A C 0.0732(7) 0.2902(18) 0.2004(8) 0.096(9) Uani 1 1 d D U . . .
H10C H 0.073675 0.323298 0.207541 0.115 Uiso 1 1 calc R U . . .
C11A C 0.1012(7) 0.2556(12) 0.2109(6) 0.093(9) Uani 1 1 d D U . . .
H11C H 0.100887 0.219993 0.209581 0.111 Uiso 1 1 calc R U . . .
C12A C 0.1254(7) 0.2850(15) 0.2054(7) 0.091(11) Uani 1 1 d D U . . .
H12F H 0.142321 0.271766 0.215707 0.110 Uiso 1 1 calc R U . . .
H12G H 0.127513 0.280581 0.187001 0.110 Uiso 1 1 calc R U . . .
O10A O 0.1248(10) 0.3352(14) 0.2104(10) 0.097(13) Uani 1 1 d D U . . .
H10D H 0.123691 0.339833 0.226088 0.145 Uiso 1 1 calc R U . . .
O9A O 0.1026(6) 0.2796(11) 0.2344(6) 0.088(8) Uani 1 1 d D U . . .
O11A O 0.0667(10) 0.2864(17) 0.1707(9) 0.108(9) Uani 1 1 d D U . . .
C13A C 0.0658(8) 0.3318(16) 0.1569(7) 0.121(9) Uani 1 1 d D U . . .
H13F H 0.064968 0.358852 0.169242 0.145 Uiso 1 1 calc R U . . .
C14A C 0.0405(8) 0.3300(18) 0.1384(8) 0.128(10) Uani 1 1 d D U . . .
H14C H 0.042070 0.358544 0.127219 0.154 Uiso 1 1 calc R U . . .
O12A O 0.0139(8) 0.3333(19) 0.1450(8) 0.163(15) Uani 1 1 d D U . . .
H12H H 0.014630 0.331095 0.161123 0.245 Uiso 1 1 calc R U . . .
C15A C 0.0417(8) 0.2875(18) 0.1198(9) 0.128(10) Uani 1 1 d D U . . .
H15C H 0.045225 0.257583 0.130147 0.154 Uiso 1 1 calc R U . . .
O13A O 0.0157(8) 0.286(2) 0.1065(7) 0.152(15) Uani 1 1 d D U . . .
H13G H 0.015670 0.267831 0.093680 0.228 Uiso 1 1 calc R U . . .
C16A C 0.0657(8) 0.297(3) 0.1063(8) 0.125(9) Uani 1 1 d D U . . .
H16C H 0.062885 0.328481 0.096853 0.150 Uiso 1 1 calc R U . . .
C17A C 0.0925(7) 0.3002(18) 0.1262(9) 0.121(10) Uani 1 1 d D U . . .
H17F H 0.096245 0.268851 0.135185 0.145 Uiso 1 1 calc R U . . .
C18A C 0.1179(8) 0.316(3) 0.1139(9) 0.120(12) Uani 1 1 d D U . . .
H18F H 0.118673 0.298402 0.097711 0.145 Uiso 1 1 calc R U . . .
H18G H 0.115965 0.350690 0.109403 0.145 Uiso 1 1 calc R U . . .
O15A O 0.1433(8) 0.3093(19) 0.1308(10) 0.108(13) Uani 1 1 d D U . . .
H15D H 0.142792 0.324896 0.144482 0.162 Uiso 1 1 calc R U . . .
O14A O 0.0895(8) 0.3363(16) 0.1440(8) 0.120(10) Uani 1 1 d D U . . .
O16A O 0.0694(10) 0.260(2) 0.0885(7) 0.121(9) Uani 1 1 d D U . . .
C19A C 0.0742(8) 0.2746(14) 0.0626(7) 0.121(9) Uani 1 1 d D U . . .
H19A H 0.073777 0.310113 0.060742 0.145 Uiso 1 1 calc R U . . .
C20A C 0.0518(8) 0.2529(13) 0.0453(9) 0.119(10) Uani 1 1 d D U . . .
H20A H 0.055536 0.260148 0.027367 0.143 Uiso 1 1 calc R U . . .
O17A O 0.0247(8) 0.2680(15) 0.0466(7) 0.117(13) Uani 1 1 d D U . . .
H17G H 0.024891 0.289212 0.058011 0.176 Uiso 1 1 calc R U . . .
C21A C 0.0517(8) 0.1982(14) 0.0476(10) 0.118(10) Uani 1 1 d D U . . .
H21A H 0.047154 0.188438 0.064939 0.141 Uiso 1 1 calc R U . . .
O18A O 0.0305(9) 0.1855(14) 0.0286(10) 0.128(14) Uani 1 1 d D U . . .
H18H H 0.036753 0.167895 0.017761 0.192 Uiso 1 1 calc R U . . .
C22A C 0.0795(8) 0.1809(17) 0.0439(13) 0.116(9) Uani 1 1 d D U . . .
H22D H 0.082510 0.189121 0.025829 0.140 Uiso 1 1 calc R U . . .
C23A C 0.1020(8) 0.2071(17) 0.0623(10) 0.127(10) Uani 1 1 d D U . . .
H23D H 0.099694 0.199819 0.080620 0.152 Uiso 1 1 calc R U . . .
C24A C 0.1316(8) 0.195(2) 0.0575(11) 0.131(13) Uani 1 1 d D U . . .
H24A H 0.144821 0.216791 0.067663 0.158 Uiso 1 1 calc R U . . .
H24B H 0.136112 0.161990 0.063595 0.158 Uiso 1 1 calc R U . . .
O20A O 0.1349(12) 0.1984(17) 0.0309(12) 0.151(17) Uani 1 1 d D U . . .
H20B H 0.132016 0.226671 0.025917 0.226 Uiso 1 1 calc R U . . .
O19A O 0.1001(7) 0.2563(15) 0.0581(9) 0.122(10) Uani 1 1 d D U . . .
O21A O 0.0846(10) 0.1343(16) 0.0472(10) 0.114(9) Uani 1 1 d D U . . .
C25A C 0.0861(8) 0.0997(13) 0.0269(9) 0.111(9) Uani 1 1 d D U . . .
H25A H 0.081416 0.116354 0.009919 0.133 Uiso 1 1 calc R U . . .
C26A C 0.0659(8) 0.0626(14) 0.0284(11) 0.115(10) Uani 1 1 d D U . . .
H26A H 0.070227 0.043074 0.013477 0.138 Uiso 1 1 calc R U . . .
O22A O 0.0376(8) 0.0664(14) 0.0210(11) 0.134(14) Uani 1 1 d D U . . .
H22E H 0.033264 0.095283 0.019170 0.202 Uiso 1 1 calc R U . . .
C27A C 0.0729(8) 0.0250(15) 0.0493(10) 0.116(10) Uani 1 1 d D U . . .
H27D H 0.070844 0.039499 0.066449 0.139 Uiso 1 1 calc R U . . .
O23A O 0.0538(8) -0.0111(13) 0.0443(9) 0.116(13) Uani 1 1 d D U . . .
H23E H 0.055989 -0.030939 0.056473 0.175 Uiso 1 1 calc R U . . .
C28A C 0.1021(8) 0.0100(16) 0.0495(13) 0.111(9) Uani 1 1 d D U . . .
H28D H 0.103668 -0.007691 0.033129 0.133 Uiso 1 1 calc R U . . .
C29A C 0.1215(8) 0.0547(16) 0.0508(9) 0.113(10) Uani 1 1 d D U . . .
H29A H 0.120900 0.074303 0.066699 0.136 Uiso 1 1 calc R U . . .
C30A C 0.1511(7) 0.0375(19) 0.0475(12) 0.118(12) Uani 1 1 d D U . . .
H30A H 0.161294 0.062547 0.039356 0.141 Uiso 1 1 calc R U . . .
H30B H 0.161687 0.029267 0.064494 0.141 Uiso 1 1 calc R U . . .
O25A O 0.1471(10) -0.0040(19) 0.0312(12) 0.153(17) Uani 1 1 d D U . . .
H25B H 0.162625 -0.015622 0.029336 0.230 Uiso 1 1 calc R U . . .
O24A O 0.1132(8) 0.0803(14) 0.0278(8) 0.108(9) Uani 1 1 d D U . . .
O26A O 0.1070(9) -0.0204(14) 0.0692(10) 0.107(9) Uani 1 1 d D U . . .
C31A C 0.1233(7) -0.0638(14) 0.0689(7) 0.097(8) Uani 1 1 d D U . . .
H31A H 0.131894 -0.064584 0.052536 0.116 Uiso 1 1 calc R U . . .
C32A C 0.1036(8) -0.1035(15) 0.0684(6) 0.092(9) Uani 1 1 d D U . . .
H32D H 0.114498 -0.132806 0.065728 0.111 Uiso 1 1 calc R U . . .
O27A O 0.0814(7) -0.1030(15) 0.0481(6) 0.095(11) Uani 1 1 d D U . . .
H27E H 0.081741 -0.077537 0.039676 0.142 Uiso 1 1 calc R U . . .
C33A C 0.0936(8) -0.1101(16) 0.0947(6) 0.087(9) Uani 1 1 d D U . . .
H33D H 0.081967 -0.081976 0.098171 0.105 Uiso 1 1 calc R U . . .
O28A O 0.0775(8) -0.1503(15) 0.0935(8) 0.097(12) Uani 1 1 d D U . . .
H28E H 0.084601 -0.170047 0.104575 0.145 Uiso 1 1 calc R U . . .
C34A C 0.1181(8) -0.1128(18) 0.1150(7) 0.084(8) Uani 1 1 d D U . . .
H34A H 0.129283 -0.142480 0.113826 0.100 Uiso 1 1 calc R U . . .
C35A C 0.1356(7) -0.0667(15) 0.1140(7) 0.089(9) Uani 1 1 d D U . . .
H35A H 0.124047 -0.038039 0.116441 0.106 Uiso 1 1 calc R U . . .
C36A C 0.1624(9) -0.0658(17) 0.1331(9) 0.092(11) Uani 1 1 d D U . . .
H36A H 0.173572 -0.037666 0.129371 0.110 Uiso 1 1 calc R U . . .
H36B H 0.157665 -0.062225 0.150793 0.110 Uiso 1 1 calc R U . . .
O30A O 0.1787(8) -0.1076(18) 0.1319(10) 0.114(14) Uani 1 1 d D U . . .
H30C H 0.169079 -0.131690 0.134201 0.172 Uiso 1 1 calc R U . . .
O29A O 0.1446(6) -0.0653(14) 0.0898(7) 0.090(8) Uani 1 1 d D U . . .
O31A O 0.1041(8) -0.1109(13) 0.1400(7) 0.074(7) Uani 1 1 d D U . . .
C37A C 0.1088(6) -0.1545(13) 0.1551(6) 0.071(8) Uani 1 1 d D U . . .
H37D H 0.109678 -0.181745 0.142934 0.085 Uiso 1 1 calc R U . . .
C38A C 0.0850(6) -0.1616(15) 0.1689(6) 0.072(8) Uani 1 1 d D U . . .
H38D H 0.087582 -0.194083 0.176684 0.086 Uiso 1 1 calc R U . . .
O32A O 0.0584(6) -0.1622(14) 0.1546(7) 0.074(10) Uani 1 1 d D U . . .
H32E H 0.059628 -0.157593 0.138943 0.111 Uiso 1 1 calc R U . . .
C39A C 0.0850(6) -0.1275(15) 0.1919(6) 0.063(8) Uani 1 1 d D U . . .
H39A H 0.081492 -0.094486 0.184957 0.076 Uiso 1 1 calc R U . . .
O33A O 0.0622(6) -0.1413(14) 0.2030(6) 0.070(9) Uani 1 1 d D U . . .
H33E H 0.067152 -0.148379 0.218545 0.105 Uiso 1 1 calc R U . . .
C40A C 0.1128(6) -0.1282(19) 0.2074(6) 0.062(7) Uani 1 1 d D U . . .
H40A H 0.117060 -0.159744 0.216003 0.075 Uiso 1 1 calc R U . . .
C41A C 0.1346(6) -0.1146(14) 0.1894(7) 0.066(8) Uani 1 1 d D U . . .
H41A H 0.128906 -0.084096 0.180254 0.079 Uiso 1 1 calc R U . . .
C42A C 0.1645(7) -0.1104(15) 0.2026(8) 0.071(10) Uani 1 1 d D U . . .
H42D H 0.177229 -0.112064 0.189339 0.085 Uiso 1 1 calc R U . . .
H42E H 0.167051 -0.079008 0.211198 0.085 Uiso 1 1 calc R U . . .
O35A O 0.1714(8) -0.1471(14) 0.2211(7) 0.068(10) Uani 1 1 d D U . . .
H35B H 0.187890 -0.143535 0.228064 0.102 Uiso 1 1 calc R U . . .
O34A O 0.1345(6) -0.1515(12) 0.1712(6) 0.069(7) Uani 1 1 d D U . . .
O36A O 0.1120(7) -0.0886(13) 0.2268(5) 0.057(7) Uani 1 1 d D U . . .
C43A C 0.1232(6) -0.0988(11) 0.2533(6) 0.058(7) Uani 1 1 d D U . . .
H43D H 0.128137 -0.133382 0.255359 0.069 Uiso 1 1 calc R U . . .
C44A C 0.1016(6) -0.0865(10) 0.2692(7) 0.054(7) Uani 1 1 d D U . . .
H44A H 0.110841 -0.088989 0.287457 0.065 Uiso 1 1 calc R U . . .
O37A O 0.0786(6) -0.1171(11) 0.2677(6) 0.068(9) Uani 1 1 d D U . . .
H37E H 0.079788 -0.137841 0.256344 0.102 Uiso 1 1 calc R U . . .
C45A C 0.0930(6) -0.0339(10) 0.2656(8) 0.053(7) Uani 1 1 d D U . . .
H45A H 0.085149 -0.027980 0.247195 0.063 Uiso 1 1 calc R U . . .
O38A O 0.0727(6) -0.0272(11) 0.2813(7) 0.065(9) Uani 1 1 d D U . . .
H38E H 0.078155 -0.007202 0.292828 0.097 Uiso 1 1 calc R U . . .
C46A C 0.1189(6) -0.0055(12) 0.2723(9) 0.053(7) Uani 1 1 d D U . . .
H46A H 0.125970 -0.010285 0.290978 0.064 Uiso 1 1 calc R U . . .
C47A C 0.1415(6) -0.0217(11) 0.2559(7) 0.059(7) Uani 1 1 d D U . . .
H47D H 0.135500 -0.014964 0.237188 0.071 Uiso 1 1 calc R U . . .
C48A C 0.1701(7) 0.0010(16) 0.2649(9) 0.071(10) Uani 1 1 d D U . . .
H48D H 0.183642 -0.008251 0.253209 0.085 Uiso 1 1 calc R U . . .
H48E H 0.168617 0.036206 0.264942 0.085 Uiso 1 1 calc R U . . .
O40A O 0.1791(10) -0.016(2) 0.2907(9) 0.124(14) Uani 1 1 d D U . . .
H40B H 0.194727 -0.004960 0.296193 0.186 Uiso 1 1 calc R U . . .
O39A O 0.1470(5) -0.0705(10) 0.2598(6) 0.054(6) Uani 1 1 d D U . . .
O1B O 0.2934(8) 0.1176(12) 0.1391(6) 0.066(7) Uani 1 1 d D U . . .
C1B C 0.2919(5) 0.1594(12) 0.1553(5) 0.063(7) Uani 1 1 d D U . . .
H1B1 H 0.287798 0.188088 0.144063 0.076 Uiso 1 1 calc R U . . .
C2B C 0.3194(6) 0.1650(14) 0.1705(6) 0.067(8) Uani 1 1 d D U . . .
H2B1 H 0.319163 0.195767 0.180137 0.080 Uiso 1 1 calc R U . . .
O2B O 0.3417(6) 0.1673(13) 0.1561(7) 0.065(9) Uani 1 1 d D U . . .
H2B2 H 0.335732 0.164881 0.140316 0.097 Uiso 1 1 calc R U . . .
C3B C 0.3263(6) 0.1256(14) 0.1907(6) 0.060(8) Uani 1 1 d D U . . .
H3B1 H 0.328155 0.094466 0.181764 0.072 Uiso 1 1 calc R U . . .
O3B O 0.3518(6) 0.1392(12) 0.2032(6) 0.060(9) Uani 1 1 d D U . . .
H3B2 H 0.350508 0.144750 0.218825 0.090 Uiso 1 1 calc R U . . .
C4B C 0.3028(6) 0.1226(18) 0.2062(6) 0.057(7) Uani 1 1 d D U . . .
H4B1 H 0.301327 0.154294 0.214630 0.068 Uiso 1 1 calc R U . . .
C5B C 0.2756(6) 0.1147(13) 0.1876(6) 0.061(7) Uani 1 1 d D U . . .
H5B1 H 0.277466 0.085741 0.176808 0.073 Uiso 1 1 calc R U . . .
C6B C 0.2494(7) 0.1106(14) 0.2005(8) 0.061(9) Uani 1 1 d D U . . .
H6B1 H 0.232974 0.110823 0.186998 0.073 Uiso 1 1 calc R U . . .
H6B2 H 0.249618 0.079598 0.209587 0.073 Uiso 1 1 calc R U . . .
O5B O 0.2465(8) 0.1474(11) 0.2183(7) 0.074(11) Uani 1 1 d D U . . .
H5B2 H 0.231996 0.142946 0.225092 0.110 Uiso 1 1 calc R U . . .
O4B O 0.2711(6) 0.1547(11) 0.1715(6) 0.060(7) Uani 1 1 d D U . . .
O6B O 0.3082(7) 0.0890(12) 0.2256(5) 0.050(6) Uani 1 1 d D U . . .
C7B C 0.3031(6) 0.0984(11) 0.2519(6) 0.058(7) Uani 1 1 d D U . . .
H7B1 H 0.298241 0.132685 0.253769 0.070 Uiso 1 1 calc R U . . .
C8B C 0.3287(6) 0.0872(11) 0.2689(7) 0.064(8) Uani 1 1 d D U . . .
H8B1 H 0.323756 0.090057 0.286798 0.077 Uiso 1 1 calc R U . . .
O7B O 0.3519(7) 0.1167(12) 0.2685(6) 0.080(10) Uani 1 1 d D U . . .
H7B2 H 0.348486 0.137025 0.256725 0.120 Uiso 1 1 calc R U . . .
C9B C 0.3365(6) 0.0348(11) 0.2661(8) 0.064(8) Uani 1 1 d D U . . .
H9B1 H 0.339229 0.028739 0.247735 0.076 Uiso 1 1 calc R U . . .
O8B O 0.3616(6) 0.0321(12) 0.2811(8) 0.091(11) Uani 1 1 d D U . . .
H8B2 H 0.360930 0.011301 0.292540 0.136 Uiso 1 1 calc R U . . .
C10B C 0.3131(6) 0.0051(13) 0.2723(10) 0.064(7) Uani 1 1 d D U . . .
H10E H 0.310460 0.009028 0.290848 0.077 Uiso 1 1 calc R U . . .
C11B C 0.2866(6) 0.0205(11) 0.2541(7) 0.063(7) Uani 1 1 d D U . . .
H11D H 0.288091 0.013545 0.235615 0.076 Uiso 1 1 calc R U . . .
C12B C 0.2601(8) -0.0019(17) 0.2627(9) 0.077(10) Uani 1 1 d D U . . .
H12I H 0.243272 0.009881 0.251745 0.092 Uiso 1 1 calc R U . . .
H12J H 0.260707 -0.037069 0.261296 0.092 Uiso 1 1 calc R U . . .
O10B O 0.2598(11) 0.012(2) 0.2890(9) 0.121(14) Uani 1 1 d D U . . .
H10F H 0.245414 0.001311 0.294298 0.182 Uiso 1 1 calc R U . . .
O9B O 0.2813(5) 0.0690(10) 0.2581(6) 0.061(7) Uani 1 1 d D U . . .
O11B O 0.3184(7) -0.0432(11) 0.2667(6) 0.055(7) Uani 1 1 d D U . . .
C13B C 0.3152(6) -0.0812(11) 0.2853(7) 0.065(7) Uani 1 1 d D U . . .
H13H H 0.309134 -0.066997 0.301148 0.078 Uiso 1 1 calc R U . . .
C14B C 0.3415(6) -0.1054(12) 0.2922(8) 0.068(8) Uani 1 1 d D U . . .
H14D H 0.336405 -0.128486 0.305364 0.082 Uiso 1 1 calc R U . . .
O12B O 0.3647(7) -0.0840(12) 0.3058(7) 0.093(11) Uani 1 1 d D U . . .
H12K H 0.361838 -0.054589 0.307016 0.140 Uiso 1 1 calc R U . . .
C15B C 0.3503(6) -0.1396(14) 0.2721(8) 0.079(8) Uani 1 1 d D U . . .
H15E H 0.354592 -0.120449 0.256955 0.095 Uiso 1 1 calc R U . . .
O13B O 0.3739(6) -0.1625(13) 0.2826(7) 0.077(10) Uani 1 1 d D U . . .
H13I H 0.371195 -0.192058 0.282246 0.115 Uiso 1 1 calc R U . . .
C16B C 0.3264(7) -0.1712(13) 0.2633(10) 0.078(8) Uani 1 1 d D U . . .
H16D H 0.322016 -0.193770 0.276972 0.094 Uiso 1 1 calc R U . . .
C17B C 0.3013(6) -0.1389(14) 0.2529(7) 0.075(8) Uani 1 1 d D U . . .
H17H H 0.306321 -0.117809 0.238782 0.090 Uiso 1 1 calc R U . . .
C18B C 0.2749(8) -0.1680(14) 0.2433(11) 0.080(10) Uani 1 1 d D U . . .
H18I H 0.279078 -0.191477 0.230223 0.096 Uiso 1 1 calc R U . . .
H18J H 0.268818 -0.185625 0.257946 0.096 Uiso 1 1 calc R U . . .
O15B O 0.2532(7) -0.1368(15) 0.2322(8) 0.088(12) Uani 1 1 d D U . . .
H15F H 0.238849 -0.152791 0.227167 0.132 Uiso 1 1 calc R U . . .
O14B O 0.2941(6) -0.1116(11) 0.2733(7) 0.071(7) Uani 1 1 d D U . . .
O16B O 0.3360(9) -0.1964(14) 0.2404(9) 0.092(8) Uani 1 1 d D U . . .
C19B C 0.3387(7) -0.2477(15) 0.2433(8) 0.115(9) Uani 1 1 d D U . . .
H19B H 0.339568 -0.256004 0.261981 0.138 Uiso 1 1 calc R U . . .
C20B C 0.3640(7) -0.2627(16) 0.2344(6) 0.122(10) Uani 1 1 d D U . . .
H20C H 0.362317 -0.298079 0.236003 0.147 Uiso 1 1 calc R U . . .
O17B O 0.3906(8) -0.256(2) 0.2466(8) 0.163(15) Uani 1 1 d D U . . .
H17I H 0.390552 -0.234252 0.257726 0.245 Uiso 1 1 calc R U . . .
C21B C 0.3643(8) -0.2582(19) 0.2052(7) 0.130(10) Uani 1 1 d D U . . .
H21B H 0.365763 -0.224104 0.199963 0.155 Uiso 1 1 calc R U . . .
O18B O 0.3882(9) -0.283(2) 0.2022(8) 0.129(14) Uani 1 1 d D U . . .
H18K H 0.384293 -0.305753 0.191810 0.194 Uiso 1 1 calc R U . . .
C22B C 0.3390(9) -0.280(3) 0.1916(8) 0.133(10) Uani 1 1 d D U . . .
H22F H 0.341036 -0.315311 0.195217 0.160 Uiso 1 1 calc R U . . .
C23B C 0.3125(8) -0.2651(17) 0.2026(8) 0.127(10) Uani 1 1 d D U . . .
H23F H 0.307982 -0.231111 0.198088 0.152 Uiso 1 1 calc R U . . .
C24B C 0.2875(9) -0.297(2) 0.1928(11) 0.129(13) Uani 1 1 d D U . . .
H24C H 0.270211 -0.282408 0.197242 0.155 Uiso 1 1 calc R U . . .
H24D H 0.285769 -0.299865 0.173789 0.155 Uiso 1 1 calc R U . . .
O20B O 0.2904(12) -0.3439(18) 0.2040(12) 0.127(15) Uani 1 1 d D U . . .
H20D H 0.292562 -0.341660 0.220139 0.190 Uiso 1 1 calc R U . . .
O19B O 0.3158(8) -0.2711(15) 0.2293(8) 0.116(10) Uani 1 1 d D U . . .
O21B O 0.3381(12) -0.2760(19) 0.1652(10) 0.148(11) Uani 1 1 d D U . . .
C25B C 0.3357(9) -0.3175(17) 0.1483(7) 0.159(11) Uani 1 1 d D U . . .
H25C H 0.339808 -0.346859 0.158930 0.190 Uiso 1 1 calc R U . . .
C26B C 0.3561(9) -0.313(2) 0.1310(8) 0.163(11) Uani 1 1 d D U . . .
H26B H 0.354193 -0.343484 0.121218 0.196 Uiso 1 1 calc R U . . .
O22B O 0.3847(9) -0.309(2) 0.1376(8) 0.183(16) Uani 1 1 d D U . . .
H22G H 0.388654 -0.309942 0.153760 0.274 Uiso 1 1 calc R U . . .
C27B C 0.3488(9) -0.2757(19) 0.1094(9) 0.165(12) Uani 1 1 d D U . . .
H27F H 0.351458 -0.242671 0.116556 0.197 Uiso 1 1 calc R U . . .
O23B O 0.3693(10) -0.287(2) 0.0947(9) 0.164(16) Uani 1 1 d D U . . .
H23G H 0.362159 -0.291773 0.079427 0.245 Uiso 1 1 calc R U . . .
C28B C 0.3200(9) -0.282(3) 0.0972(10) 0.165(11) Uani 1 1 d D U . . .
H28F H 0.318201 -0.311993 0.086505 0.197 Uiso 1 1 calc R U . . .
C29B C 0.3000(8) -0.284(2) 0.1179(11) 0.164(11) Uani 1 1 d D U . . .
H29B H 0.299336 -0.252527 0.127100 0.197 Uiso 1 1 calc R U . . .
C30B C 0.2708(9) -0.301(3) 0.1059(11) 0.166(14) Uani 1 1 d D U . . .
H30D H 0.264847 -0.282762 0.089806 0.199 Uiso 1 1 calc R U . . .
H30E H 0.271438 -0.334936 0.101619 0.199 Uiso 1 1 calc R U . . .
O25B O 0.2513(9) -0.293(2) 0.1239(11) 0.173(18) Uani 1 1 d D U . . .
H25D H 0.235239 -0.299940 0.116834 0.259 Uiso 1 1 calc R U . . .
O24B O 0.3085(9) -0.321(2) 0.1348(9) 0.162(11) Uani 1 1 d D U . . .
O26B O 0.3127(12) -0.237(3) 0.0797(9) 0.159(11) Uani 1 1 d D U . . .
C31B C 0.3002(10) -0.2444(15) 0.0531(10) 0.154(11) Uani 1 1 d D U . . .
H31B H 0.299317 -0.279384 0.049424 0.185 Uiso 1 1 calc R U . . .
C32B C 0.3173(10) -0.2214(15) 0.0363(11) 0.152(11) Uani 1 1 d D U . . .
H32F H 0.307697 -0.229121 0.018708 0.183 Uiso 1 1 calc R U . . .
O27B O 0.3446(10) -0.2334(19) 0.0348(10) 0.169(16) Uani 1 1 d D U . . .
H27G H 0.349947 -0.254056 0.046055 0.254 Uiso 1 1 calc R U . . .
C33B C 0.3169(10) -0.1664(15) 0.0368(11) 0.146(11) Uani 1 1 d D U . . .
H33F H 0.326637 -0.154056 0.053611 0.176 Uiso 1 1 calc R U . . .
O28B O 0.3320(11) -0.1570(14) 0.0172(11) 0.153(15) Uani 1 1 d D U . . .
H28G H 0.322988 -0.138439 0.006518 0.230 Uiso 1 1 calc R U . . .
C34B C 0.2876(10) -0.1521(17) 0.0332(14) 0.141(10) Uani 1 1 d D U . . .
H34B H 0.278180 -0.160313 0.015495 0.169 Uiso 1 1 calc R U . . .
C35B C 0.2732(9) -0.1760(17) 0.0546(10) 0.141(11) Uani 1 1 d D U . . .
H35C H 0.282969 -0.168537 0.072207 0.169 Uiso 1 1 calc R U . . .
C36B C 0.2422(10) -0.164(2) 0.0520(12) 0.143(13) Uani 1 1 d D U . . .
H36C H 0.233630 -0.181672 0.065370 0.171 Uiso 1 1 calc R U . . .
H36D H 0.239878 -0.129534 0.055064 0.171 Uiso 1 1 calc R U . . .
O30B O 0.2283(11) -0.176(3) 0.0272(12) 0.153(17) Uani 1 1 d D U . . .
H30F H 0.227560 -0.206053 0.025696 0.230 Uiso 1 1 calc R U . . .
O29B O 0.2732(8) -0.2251(16) 0.0494(10) 0.147(11) Uani 1 1 d D U . . .
O31B O 0.2899(10) -0.1017(18) 0.0369(10) 0.131(10) Uani 1 1 d D U . . .
C37B C 0.2766(8) -0.0727(12) 0.0155(8) 0.127(10) Uani 1 1 d D U . . .
H37F H 0.274400 -0.092535 -0.000575 0.152 Uiso 1 1 calc R U . . .
C38B C 0.2946(9) -0.0329(13) 0.0119(10) 0.125(10) Uani 1 1 d D U . . .
H38F H 0.284216 -0.015296 -0.003052 0.150 Uiso 1 1 calc R U . . .
O32B O 0.3212(9) -0.0374(14) 0.0052(9) 0.137(14) Uani 1 1 d D U . . .
H32G H 0.325601 -0.066341 0.005049 0.205 Uiso 1 1 calc R U . . .
C39B C 0.2963(9) 0.0035(15) 0.0342(9) 0.119(10) Uani 1 1 d D U . . .
H39B H 0.305588 -0.011663 0.050392 0.142 Uiso 1 1 calc R U . . .
O33B O 0.3134(8) 0.0379(14) 0.0264(10) 0.126(13) Uani 1 1 d D U . . .
H33G H 0.305260 0.064418 0.025906 0.189 Uiso 1 1 calc R U . . .
C40B C 0.2676(9) 0.0164(15) 0.0374(13) 0.111(9) Uani 1 1 d D U . . .
H40C H 0.258065 0.036055 0.022880 0.133 Uiso 1 1 calc R U . . .
C41B C 0.2512(8) -0.0296(16) 0.0426(9) 0.116(10) Uani 1 1 d D U . . .
H41B H 0.259604 -0.046326 0.058666 0.139 Uiso 1 1 calc R U . . .
C42B C 0.2203(9) -0.017(2) 0.0432(11) 0.119(12) Uani 1 1 d D U . . .
H42F H 0.208654 -0.045833 0.040866 0.142 Uiso 1 1 calc R U . . .
H42G H 0.217892 -0.002089 0.059984 0.142 Uiso 1 1 calc R U . . .
O35B O 0.2124(9) 0.0162(18) 0.0225(11) 0.129(15) Uani 1 1 d D U . . .
H35D H 0.195814 0.024419 0.022561 0.193 Uiso 1 1 calc R U . . .
O34B O 0.2501(7) -0.0589(14) 0.0207(9) 0.117(9) Uani 1 1 d D U . . .
O36B O 0.2702(9) 0.0421(14) 0.0636(9) 0.100(9) Uani 1 1 d D U . . .
C43B C 0.2536(8) 0.0844(13) 0.0661(7) 0.090(8) Uani 1 1 d D U . . .
H43E H 0.240267 0.088373 0.049947 0.107 Uiso 1 1 calc R U . . .
C44B C 0.2720(9) 0.1256(15) 0.0690(6) 0.089(9) Uani 1 1 d D U . . .
H44B H 0.258887 0.152394 0.070864 0.107 Uiso 1 1 calc R U . . .
O37B O 0.2854(9) 0.1408(14) 0.0488(7) 0.122(13) Uani 1 1 d D U . . .
H37G H 0.283569 0.120228 0.037021 0.182 Uiso 1 1 calc R U . . .
C45B C 0.2912(8) 0.1273(15) 0.0946(6) 0.082(9) Uani 1 1 d D U . . .
H45B H 0.304393 0.099734 0.095307 0.098 Uiso 1 1 calc R U . . .
O38B O 0.3064(8) 0.1689(13) 0.0957(7) 0.077(10) Uani 1 1 d D U . . .
H38G H 0.302479 0.185675 0.107994 0.115 Uiso 1 1 calc R U . . .
C46B C 0.2734(8) 0.1214(17) 0.1154(6) 0.074(8) Uani 1 1 d D U . . .
H46B H 0.261369 0.150068 0.116203 0.089 Uiso 1 1 calc R U . . .
C47B C 0.2554(7) 0.0760(13) 0.1110(6) 0.077(8) Uani 1 1 d D U . . .
H47E H 0.267698 0.047332 0.111554 0.092 Uiso 1 1 calc R U . . .
C48B C 0.2349(7) 0.0701(14) 0.1306(6) 0.072(10) Uani 1 1 d D U . . .
H48F H 0.223500 0.041220 0.126187 0.087 Uiso 1 1 calc R U . . .
H48G H 0.245350 0.065505 0.147996 0.087 Uiso 1 1 calc R U . . .
O40B O 0.2170(7) 0.1102(15) 0.1310(8) 0.081(11) Uani 1 1 d D U . . .
H40D H 0.226586 0.134861 0.134576 0.122 Uiso 1 1 calc R U . . .
O39B O 0.2384(6) 0.0781(14) 0.0869(6) 0.085(8) Uani 1 1 d D U . . .
O1C O 0.4984(6) 0.0745(12) 0.2693(6) 0.052(6) Uani 1 1 d D U . . .
C1C C 0.4797(6) 0.0666(10) 0.2883(6) 0.056(7) Uani 1 1 d D U . . .
H1C H 0.486131 0.086916 0.303695 0.067 Uiso 1 1 calc R U . . .
C2C C 0.4824(7) 0.0174(10) 0.2963(7) 0.062(8) Uani 1 1 d D U . . .
H2C1 H 0.468867 0.017433 0.309105 0.075 Uiso 1 1 calc R U . . .
O2C O 0.5046(6) -0.0034(13) 0.3113(6) 0.086(11) Uani 1 1 d D U . . .
H2C2 H 0.518459 0.014622 0.311985 0.130 Uiso 1 1 calc R U . . .
C3C C 0.4678(7) -0.0185(10) 0.2771(7) 0.060(8) Uani 1 1 d D U . . .
H3C1 H 0.478554 -0.021883 0.262170 0.072 Uiso 1 1 calc R U . . .
O3C O 0.4691(8) -0.0607(10) 0.2906(6) 0.076(10) Uani 1 1 d D U . . .
H3C2 H 0.452943 -0.071453 0.290667 0.115 Uiso 1 1 calc R U . . .
C4C C 0.4394(7) -0.0015(9) 0.2674(9) 0.059(7) Uani 1 1 d D U . . .
H4C H 0.427211 -0.004418 0.281285 0.071 Uiso 1 1 calc R U . . .
C5C C 0.4403(7) 0.0508(10) 0.2585(7) 0.058(7) Uani 1 1 d D U . . .
H5C H 0.451260 0.053535 0.243675 0.070 Uiso 1 1 calc R U . . .
C6C C 0.4112(7) 0.0721(14) 0.2511(10) 0.066(10) Uani 1 1 d D U . . .
H6C1 H 0.399804 0.050806 0.238826 0.080 Uiso 1 1 calc R U . . .
H6C2 H 0.401805 0.075475 0.266725 0.080 Uiso 1 1 calc R U . . .
O5C O 0.4138(9) 0.1177(13) 0.2396(8) 0.081(11) Uani 1 1 d D U . . .
H5C1 H 0.397967 0.130047 0.236002 0.122 Uiso 1 1 calc R U . . .
O4C O 0.4521(5) 0.0793(10) 0.2791(6) 0.060(7) Uani 1 1 d D U . . .
O6C O 0.4294(6) -0.0307(11) 0.2465(7) 0.059(7) Uani 1 1 d D U . . .
C7C C 0.4057(6) -0.0614(10) 0.2486(7) 0.068(7) Uani 1 1 d D U . . .
H7C1 H 0.403973 -0.064087 0.267422 0.081 Uiso 1 1 calc R U . . .
C8C C 0.4121(8) -0.1081(11) 0.2398(6) 0.072(8) Uani 1 1 d D U . . .
H8C1 H 0.397288 -0.129200 0.245082 0.086 Uiso 1 1 calc R U . . .
O7C O 0.4369(8) -0.1312(13) 0.2486(6) 0.090(11) Uani 1 1 d D U . . .
H7C2 H 0.446927 -0.113245 0.258774 0.135 Uiso 1 1 calc R U . . .
C9C C 0.4090(9) -0.1123(13) 0.2101(6) 0.079(8) Uani 1 1 d D U . . .
H9C H 0.423849 -0.093458 0.203222 0.095 Uiso 1 1 calc R U . . .
O8C O 0.4137(9) -0.1603(12) 0.2072(7) 0.092(11) Uani 1 1 d D U . . .
H8C2 H 0.399687 -0.172864 0.198599 0.138 Uiso 1 1 calc R U . . .
C10C C 0.3814(9) -0.0932(15) 0.1999(7) 0.076(8) Uani 1 1 d D U . . .
H10G H 0.366471 -0.113278 0.205699 0.092 Uiso 1 1 calc R U . . .
C11C C 0.3791(7) -0.0409(13) 0.2094(6) 0.070(8) Uani 1 1 d D U . . .
H11E H 0.394426 -0.020879 0.204194 0.084 Uiso 1 1 calc R U . . .
C12C C 0.3508(7) -0.0181(14) 0.2003(9) 0.065(10) Uani 1 1 d D U . . .
H12L H 0.350539 0.014784 0.207104 0.078 Uiso 1 1 calc R U . . .
H12M H 0.347968 -0.016278 0.181169 0.078 Uiso 1 1 calc R U . . .
O10C O 0.3287(7) -0.0451(15) 0.2088(9) 0.082(11) Uani 1 1 d D U . . .
H10H H 0.330978 -0.046254 0.224993 0.123 Uiso 1 1 calc R U . . .
O9C O 0.3806(6) -0.0427(12) 0.2363(6) 0.061(7) Uani 1 1 d D U . . .
O11C O 0.3802(8) -0.0954(15) 0.1733(8) 0.087(8) Uani 1 1 d D U . . .
C13C C 0.3559(7) -0.1181(13) 0.1585(6) 0.098(9) Uani 1 1 d D U . . .
H13J H 0.345321 -0.136309 0.170430 0.118 Uiso 1 1 calc R U . . .
C14C C 0.3672(10) -0.1504(12) 0.1412(7) 0.102(9) Uani 1 1 d D U . . .
H14E H 0.350019 -0.160723 0.129847 0.123 Uiso 1 1 calc R U . . .
O12C O 0.3800(10) -0.1934(13) 0.1473(7) 0.124(13) Uani 1 1 d D U . . .
H12N H 0.384103 -0.195643 0.163357 0.186 Uiso 1 1 calc R U . . .
C15C C 0.3830(9) -0.1239(13) 0.1218(8) 0.105(9) Uani 1 1 d D U . . .
H15G H 0.398754 -0.105058 0.131174 0.126 Uiso 1 1 calc R U . . .
O13C O 0.3930(10) -0.1614(15) 0.1092(8) 0.114(13) Uani 1 1 d D U . . .
H13K H 0.385936 -0.160975 0.093582 0.170 Uiso 1 1 calc R U . . .
C16C C 0.3621(12) -0.0917(17) 0.1078(8) 0.102(9) Uani 1 1 d D U . . .
H16E H 0.346683 -0.109710 0.097459 0.123 Uiso 1 1 calc R U . . .
C17C C 0.3511(9) -0.0569(13) 0.1272(8) 0.102(9) Uani 1 1 d D U . . .
H17J H 0.366326 -0.035855 0.135616 0.122 Uiso 1 1 calc R U . . .
C18C C 0.3266(12) -0.0271(17) 0.1139(9) 0.102(11) Uani 1 1 d D U . . .
H18L H 0.331744 -0.012920 0.097878 0.123 Uiso 1 1 calc R U . . .
H18M H 0.310381 -0.048242 0.109034 0.123 Uiso 1 1 calc R U . . .
O15C O 0.3188(10) 0.0103(16) 0.1303(10) 0.111(14) Uani 1 1 d D U . . .
H15H H 0.314493 -0.001575 0.143930 0.167 Uiso 1 1 calc R U . . .
O14C O 0.3389(7) -0.0826(14) 0.1456(7) 0.096(9) Uani 1 1 d D U . . .
O16C O 0.3776(11) -0.0617(17) 0.0913(8) 0.103(9) Uani 1 1 d D U . . .
C19C C 0.3668(8) -0.0519(15) 0.0644(8) 0.106(9) Uani 1 1 d D U . . .
H19C H 0.348972 -0.069732 0.059868 0.128 Uiso 1 1 calc R U . . .
C20C C 0.3869(9) -0.0697(13) 0.0487(10) 0.110(10) Uani 1 1 d D U . . .
H20E H 0.377845 -0.062331 0.030824 0.132 Uiso 1 1 calc R U . . .
O17C O 0.3944(11) -0.1168(13) 0.0468(8) 0.132(14) Uani 1 1 d D U . . .
H17K H 0.387810 -0.132862 0.058181 0.198 Uiso 1 1 calc R U . . .
C21C C 0.4137(8) -0.0400(13) 0.0509(10) 0.111(10) Uani 1 1 d D U . . .
H21C H 0.423262 -0.040367 0.069082 0.133 Uiso 1 1 calc R U . . .
O18C O 0.4291(8) -0.0648(15) 0.0350(8) 0.118(13) Uani 1 1 d D U . . .
H18N H 0.432030 -0.047339 0.022632 0.177 Uiso 1 1 calc R U . . .
C22C C 0.4044(11) 0.0089(14) 0.0435(12) 0.113(9) Uani 1 1 d D U . . .
H22H H 0.394475 0.009968 0.025442 0.136 Uiso 1 1 calc R U . . .
C23C C 0.3854(10) 0.0252(14) 0.0633(10) 0.110(10) Uani 1 1 d D U . . .
H23H H 0.395600 0.021362 0.081127 0.132 Uiso 1 1 calc R U . . .
C24C C 0.3744(13) 0.0763(14) 0.0601(10) 0.115(12) Uani 1 1 d D U . . .
H24E H 0.360181 0.081620 0.071660 0.138 Uiso 1 1 calc R U . . .
H24F H 0.389821 0.099020 0.064984 0.138 Uiso 1 1 calc R U . . .
O20C O 0.3626(8) 0.085(2) 0.0340(11) 0.142(16) Uani 1 1 d D U . . .
H20F H 0.348804 0.066745 0.030191 0.214 Uiso 1 1 calc R U . . .
O19C O 0.3615(9) -0.0029(15) 0.0609(12) 0.102(10) Uani 0.5 1 d D U P . .
O21C O 0.4306(11) 0.0354(16) 0.0459(10) 0.116(9) Uani 1 1 d D U . . .
C25C C 0.4344(8) 0.0687(14) 0.0253(9) 0.121(9) Uani 1 1 d D U . . .
H25E H 0.421172 0.059928 0.009662 0.146 Uiso 1 1 calc R U . . .
C26C C 0.4625(8) 0.0621(16) 0.0195(9) 0.123(10) Uani 1 1 d D U . . .
H26C H 0.463829 0.084186 0.004651 0.147 Uiso 1 1 calc R U . . .
O22C O 0.4733(9) 0.0191(14) 0.0117(10) 0.129(14) Uani 1 1 d D U . . .
H22I H 0.461462 -0.002640 0.012078 0.194 Uiso 1 1 calc R U . . .
C27C C 0.4843(8) 0.0814(16) 0.0412(10) 0.121(10) Uani 1 1 d D U . . .
H27H H 0.482555 0.062356 0.057051 0.145 Uiso 1 1 calc R U . . .
O23C O 0.5092(8) 0.0694(16) 0.0334(11) 0.147(14) Uani 1 1 d D U . . .
H23I H 0.518735 0.094144 0.032309 0.220 Uiso 1 1 calc R U . . .
C28C C 0.4773(8) 0.1306(16) 0.0466(14) 0.122(10) Uani 1 1 d D U . . .
H28H H 0.478816 0.151007 0.031110 0.146 Uiso 1 1 calc R U . . .
C29C C 0.4470(9) 0.1330(13) 0.0537(9) 0.125(10) Uani 1 1 d D U . . .
H29C H 0.444712 0.117252 0.070441 0.149 Uiso 1 1 calc R U . . .
C30C C 0.4393(8) 0.1869(12) 0.0526(10) 0.135(13) Uani 1 1 d D U . . .
H30G H 0.418886 0.191286 0.050947 0.162 Uiso 1 1 calc R U . . .
H30H H 0.447975 0.203578 0.068373 0.162 Uiso 1 1 calc R U . . .
O25C O 0.4501(12) 0.2043(18) 0.0301(10) 0.155(17) Uani 1 1 d D U . . .
H25F H 0.445987 0.233254 0.027887 0.232 Uiso 1 1 calc R U . . .
O24C O 0.4286(8) 0.1159(13) 0.0324(10) 0.125(10) Uani 1 1 d D U . . .
O26C O 0.4970(10) 0.1460(15) 0.0679(10) 0.113(9) Uani 1 1 d D U . . .
C31C C 0.5071(7) 0.1949(16) 0.0683(7) 0.110(9) Uani 1 1 d D U . . .
H31C H 0.499649 0.210711 0.051679 0.132 Uiso 1 1 calc R U . . .
C32C C 0.5370(7) 0.1898(19) 0.0693(7) 0.112(10) Uani 1 1 d D U . . .
H32H H 0.543480 0.223637 0.069651 0.135 Uiso 1 1 calc R U . . .
O27C O 0.5472(10) 0.1716(16) 0.0480(8) 0.134(14) Uani 1 1 d D U . . .
H27I H 0.533926 0.161614 0.037334 0.201 Uiso 1 1 calc R U . . .
C33C C 0.5513(8) 0.1705(18) 0.0949(7) 0.108(10) Uani 1 1 d D U . . .
H33H H 0.544608 0.137100 0.096677 0.129 Uiso 1 1 calc R U . . .
O28C O 0.5793(8) 0.168(2) 0.0940(9) 0.117(13) Uani 1 1 d D U . . .
H28I H 0.587695 0.185834 0.105536 0.176 Uiso 1 1 calc R U . . .
C34C C 0.5415(9) 0.199(2) 0.1155(8) 0.099(9) Uani 1 1 d D U . . .
H34C H 0.549919 0.231538 0.115829 0.119 Uiso 1 1 calc R U . . .
C35C C 0.5095(9) 0.2034(16) 0.1129(7) 0.108(9) Uani 1 1 d D U . . .
H35E H 0.501225 0.171341 0.115288 0.129 Uiso 1 1 calc R U . . .
C36C C 0.4991(11) 0.2391(19) 0.1317(9) 0.113(12) Uani 1 1 d D U . . .
H36E H 0.478607 0.240688 0.128228 0.136 Uiso 1 1 calc R U . . .
H36F H 0.504291 0.227484 0.149543 0.136 Uiso 1 1 calc R U . . .
O30C O 0.5102(11) 0.2858(16) 0.1296(11) 0.128(15) Uani 1 1 d D U . . .
H30I H 0.527601 0.284616 0.132138 0.192 Uiso 1 1 calc R U . . .
O29C O 0.4990(8) 0.2215(14) 0.0887(7) 0.105(9) Uani 1 1 d D U . . .
O31C O 0.5533(8) 0.1726(15) 0.1384(8) 0.089(8) Uani 1 1 d D U . . .
C37C C 0.5749(7) 0.1973(12) 0.1556(6) 0.081(8) Uani 1 1 d D U . . .
H37H H 0.586750 0.215578 0.144833 0.097 Uiso 1 1 calc R U . . .
C38C C 0.5920(8) 0.1605(13) 0.1696(6) 0.076(8) Uani 1 1 d D U . . .
H38H H 0.608170 0.178238 0.178891 0.091 Uiso 1 1 calc R U . . .
O32C O 0.6040(8) 0.1266(13) 0.1550(7) 0.081(10) Uani 1 1 d D U . . .
H32I H 0.599302 0.132237 0.139217 0.122 Uiso 1 1 calc R U . . .
C39C C 0.5787(8) 0.1361(12) 0.1911(6) 0.070(8) Uani 1 1 d D U . . .
H39C H 0.563509 0.114371 0.183330 0.084 Uiso 1 1 calc R U . . .
O33C O 0.5990(6) 0.1103(12) 0.2057(6) 0.064(9) Uani 1 1 d D U . . .
H33I H 0.611997 0.128493 0.211666 0.096 Uiso 1 1 calc R U . . .
C40C C 0.5670(10) 0.1740(14) 0.2063(6) 0.064(7) Uani 1 1 d D U . . .
H40E H 0.582571 0.193288 0.215564 0.077 Uiso 1 1 calc R U . . .
C41C C 0.5474(8) 0.2071(12) 0.1886(7) 0.070(8) Uani 1 1 d D U . . .
H41C H 0.532489 0.187536 0.178584 0.084 Uiso 1 1 calc R U . . .
C42C C 0.5342(8) 0.2486(16) 0.2015(8) 0.078(10) Uani 1 1 d D U . . .
H42H H 0.528490 0.273382 0.188341 0.093 Uiso 1 1 calc R U . . .
H42I H 0.517197 0.237031 0.208082 0.093 Uiso 1 1 calc R U . . .
O35C O 0.5521(10) 0.2691(16) 0.2220(8) 0.098(13) Uani 1 1 d D U . . .
H35F H 0.543613 0.290464 0.228983 0.146 Uiso 1 1 calc R U . . .
O34C O 0.5631(7) 0.2295(10) 0.1715(6) 0.074(7) Uani 1 1 d D U . . .
O36C O 0.5533(7) 0.1478(12) 0.2254(5) 0.055(7) Uani 1 1 d D U . . .
C43C C 0.5589(6) 0.1633(10) 0.2521(5) 0.060(7) Uani 1 1 d D U . . .
H43F H 0.574082 0.187674 0.253748 0.072 Uiso 1 1 calc R U . . .
C44C C 0.5685(6) 0.1209(10) 0.2669(7) 0.059(7) Uani 1 1 d D U . . .
H44C H 0.572745 0.130737 0.285370 0.070 Uiso 1 1 calc R U . . .
O37C O 0.5925(6) 0.0994(12) 0.2599(7) 0.057(8) Uani 1 1 d D U . . .
H37I H 0.597905 0.114563 0.247638 0.085 Uiso 1 1 calc R U . . .
C45C C 0.5451(6) 0.0835(11) 0.2652(8) 0.060(7) Uani 1 1 d D U . . .
H45C H 0.540408 0.072576 0.246877 0.072 Uiso 1 1 calc R U . . .
O38C O 0.5563(7) 0.0465(10) 0.2800(7) 0.071(9) Uani 1 1 d D U . . .
H38I H 0.546721 0.041391 0.291972 0.107 Uiso 1 1 calc R U . . .
C46C C 0.5204(7) 0.1063(12) 0.2738(9) 0.060(7) Uani 1 1 d D U . . .
H46C H 0.524150 0.115060 0.292463 0.072 Uiso 1 1 calc R U . . .
C47C C 0.5127(6) 0.1505(11) 0.2569(8) 0.065(8) Uani 1 1 d D U . . .
H47F H 0.508293 0.141684 0.238308 0.078 Uiso 1 1 calc R U . . .
C48C C 0.4899(8) 0.1827(14) 0.2655(11) 0.077(10) Uani 1 1 d D U . . .
H48H H 0.471264 0.168978 0.260130 0.092 Uiso 1 1 calc R U . . .
H48I H 0.492665 0.186872 0.284495 0.092 Uiso 1 1 calc R U . . .
O40C O 0.4931(9) 0.2276(13) 0.2526(9) 0.106(13) Uani 1 1 d D U . . .
H40F H 0.481107 0.247034 0.256391 0.159 Uiso 1 1 calc R U . . .
O39C O 0.5352(6) 0.1828(10) 0.2608(6) 0.062(7) Uani 1 1 d D U . . .
O1D O 0.3403(7) 0.3315(12) 0.1391(6) 0.061(7) Uani 1 1 d D U . . .
C1D C 0.3230(7) 0.3060(11) 0.1554(6) 0.064(7) Uani 1 1 d D U . . .
H1D H 0.308153 0.288254 0.144095 0.077 Uiso 1 1 calc R U . . .
C2D C 0.3101(7) 0.3412(12) 0.1704(6) 0.061(7) Uani 1 1 d D U . . .
H2D1 H 0.297756 0.322052 0.180231 0.073 Uiso 1 1 calc R U . . .
O2D O 0.2926(6) 0.3761(12) 0.1581(6) 0.073(10) Uani 1 1 d D U . . .
H2D2 H 0.292080 0.373456 0.142001 0.109 Uiso 1 1 calc R U . . .
C3D C 0.3305(7) 0.3655(12) 0.1913(6) 0.059(8) Uani 1 1 d D U . . .
H3D1 H 0.343568 0.386407 0.183241 0.071 Uiso 1 1 calc R U . . .
O3D O 0.3134(6) 0.3925(10) 0.2042(5) 0.052(8) Uani 1 1 d D U . . .
H3D2 H 0.323013 0.408063 0.215893 0.077 Uiso 1 1 calc R U . . .
C4D C 0.3462(9) 0.3274(14) 0.2070(6) 0.060(7) Uani 1 1 d D U . . .
H4D H 0.333019 0.307898 0.215739 0.072 Uiso 1 1 calc R U . . .
C5D C 0.3603(7) 0.2949(12) 0.1885(6) 0.066(7) Uani 1 1 d D U . . .
H5D H 0.372008 0.315152 0.178457 0.080 Uiso 1 1 calc R U . . .
C6D C 0.3783(8) 0.2550(15) 0.2017(8) 0.073(10) Uani 1 1 d D U . . .
H6D1 H 0.381984 0.231245 0.188525 0.088 Uiso 1 1 calc R U . . .
H6D2 H 0.396373 0.268391 0.209422 0.088 Uiso 1 1 calc R U . . .
O5D O 0.3656(8) 0.2317(13) 0.2212(7) 0.066(10) Uani 1 1 d D U . . .
H5D1 H 0.376629 0.211371 0.228613 0.099 Uiso 1 1 calc R U . . .
O4D O 0.3394(7) 0.2731(9) 0.1712(6) 0.066(7) Uani 1 1 d D U . . .
O6D O 0.3655(7) 0.3499(13) 0.2258(5) 0.057(7) Uani 1 1 d D U . . .
C7D C 0.3685(6) 0.3349(10) 0.2525(6) 0.054(7) Uani 1 1 d D U . . .
H7D1 H 0.354169 0.310098 0.254591 0.065 Uiso 1 1 calc R U . . .
C8D C 0.3638(6) 0.3763(11) 0.2682(7) 0.060(7) Uani 1 1 d D U . . .
H8D1 H 0.366765 0.364980 0.286560 0.071 Uiso 1 1 calc R U . . .
O7D O 0.3372(6) 0.3964(12) 0.2643(6) 0.064(9) Uani 1 1 d D U . . .
H7D2 H 0.327364 0.381786 0.252395 0.096 Uiso 1 1 calc R U . . .
C9D C 0.3859(6) 0.4146(10) 0.2663(8) 0.053(7) Uani 1 1 d D U . . .
H9D H 0.384650 0.424243 0.247760 0.064 Uiso 1 1 calc R U . . .
O8D O 0.3781(7) 0.4528(11) 0.2798(7) 0.076(10) Uani 1 1 d D U . . .
H8D2 H 0.390652 0.459163 0.292004 0.113 Uiso 1 1 calc R U . . .
C10D C 0.4134(6) 0.3924(12) 0.2738(9) 0.056(7) Uani 1 1 d D U . . .
H10I H 0.415794 0.382914 0.292425 0.068 Uiso 1 1 calc R U . . .
C11D C 0.4161(6) 0.3483(10) 0.2564(8) 0.059(7) Uani 1 1 d D U . . .
H11F H 0.415235 0.357370 0.237824 0.070 Uiso 1 1 calc R U . . .
C12D C 0.4417(6) 0.3168(12) 0.2655(12) 0.075(10) Uani 1 1 d D U . . .
H12O H 0.455554 0.318925 0.253345 0.090 Uiso 1 1 calc R U . . .
H12P H 0.450565 0.326635 0.282911 0.090 Uiso 1 1 calc R U . . .
O10D O 0.4307(8) 0.2696(12) 0.2661(10) 0.124(14) Uani 1 1 d D U . . .
H10J H 0.443782 0.250111 0.269543 0.186 Uiso 1 1 calc R U . . .
O9D O 0.3949(6) 0.3159(9) 0.2605(6) 0.060(7) Uani 1 1 d D U . . .
O11D O 0.4350(6) 0.4227(12) 0.2689(6) 0.052(6) Uani 1 1 d D U . . .
C13D C 0.4590(6) 0.4306(10) 0.2882(6) 0.058(7) Uani 1 1 d D U . . .
H13L H 0.457639 0.409029 0.303252 0.070 Uiso 1 1 calc R U . . .
C14D C 0.4590(8) 0.4795(10) 0.2969(7) 0.062(8) Uani 1 1 d D U . . .
H14F H 0.476351 0.480338 0.309592 0.074 Uiso 1 1 calc R U . . .
O12D O 0.4399(7) 0.4967(14) 0.3116(7) 0.093(11) Uani 1 1 d D U . . .
H12Q H 0.426854 0.477022 0.311589 0.139 Uiso 1 1 calc R U . . .
C15D C 0.4658(8) 0.5159(10) 0.2770(7) 0.062(8) Uani 1 1 d D U . . .
H15I H 0.450508 0.517266 0.262123 0.075 Uiso 1 1 calc R U . . .
O13D O 0.4685(9) 0.5592(10) 0.2895(7) 0.077(10) Uani 1 1 d D U . . .
H13M H 0.484497 0.570180 0.288817 0.116 Uiso 1 1 calc R U . . .
C16D C 0.4924(8) 0.5007(11) 0.2678(9) 0.059(7) Uani 1 1 d D U . . .
H16F H 0.508194 0.501539 0.282223 0.071 Uiso 1 1 calc R U . . .
C17D C 0.4873(8) 0.4492(11) 0.2570(7) 0.057(7) Uani 1 1 d D U . . .
H17L H 0.470851 0.447791 0.243202 0.069 Uiso 1 1 calc R U . . .
C18D C 0.5137(8) 0.4290(14) 0.2473(10) 0.069(10) Uani 1 1 d D U . . .
H18O H 0.519922 0.450952 0.234445 0.083 Uiso 1 1 calc R U . . .
H18P H 0.528802 0.426245 0.262007 0.083 Uiso 1 1 calc R U . . .
O15D O 0.5077(9) 0.3828(13) 0.2359(8) 0.080(11) Uani 1 1 d D U . . .
H15J H 0.522025 0.371852 0.230658 0.119 Uiso 1 1 calc R U . . .
O14D O 0.4837(6) 0.4200(10) 0.2779(6) 0.057(7) Uani 1 1 d D U . . .
O16D O 0.4968(7) 0.5308(12) 0.2484(7) 0.063(7) Uani 1 1 d D U . . .
C19D C 0.5200(7) 0.5638(11) 0.2518(7) 0.078(8) Uani 1 1 d D U . . .
H19D H 0.526727 0.566959 0.270709 0.093 Uiso 1 1 calc R U . . .
C20D C 0.5100(9) 0.6096(12) 0.2420(7) 0.085(9) Uani 1 1 d D U . . .
H20G H 0.527238 0.629420 0.245694 0.102 Uiso 1 1 calc R U . . .
O17D O 0.4908(9) 0.6384(13) 0.2513(7) 0.108(12) Uani 1 1 d D U . . .
H17M H 0.483261 0.623492 0.262455 0.163 Uiso 1 1 calc R U . . .
C21D C 0.5044(9) 0.6125(14) 0.2124(7) 0.090(9) Uani 1 1 d D U . . .
H21D H 0.488223 0.591723 0.205833 0.107 Uiso 1 1 calc R U . . .
O18D O 0.4978(9) 0.6595(13) 0.2073(9) 0.111(12) Uani 1 1 d D U . . .
H18Q H 0.494089 0.663425 0.191246 0.167 Uiso 1 1 calc R U . . .
C22D C 0.5297(11) 0.5954(16) 0.2027(8) 0.091(8) Uani 1 1 d D U . . .
H22J H 0.545894 0.616328 0.208923 0.110 Uiso 1 1 calc R U . . .
C23D C 0.5352(7) 0.5436(14) 0.2125(7) 0.082(8) Uani 1 1 d D U . . .
H23J H 0.518525 0.522878 0.207675 0.099 Uiso 1 1 calc R U . . .
C24D C 0.5612(8) 0.5223(15) 0.2030(9) 0.079(10) Uani 1 1 d D U . . .
H24G H 0.563517 0.488834 0.208877 0.095 Uiso 1 1 calc R U . . .
H24H H 0.558834 0.522572 0.183917 0.095 Uiso 1 1 calc R U . . .
O20D O 0.5854(7) 0.5492(15) 0.2128(8) 0.077(11) Uani 1 1 d D U . . .
H20H H 0.587578 0.548354 0.229054 0.115 Uiso 1 1 calc R U . . .
O19D O 0.5420(6) 0.5471(13) 0.2392(6) 0.075(8) Uani 1 1 d D U . . .
O21D O 0.5234(9) 0.5982(16) 0.1755(8) 0.098(9) Uani 1 1 d D U . . .
C25D C 0.5435(8) 0.6223(13) 0.1616(6) 0.106(9) Uani 1 1 d D U . . .
H25G H 0.557843 0.638621 0.174177 0.127 Uiso 1 1 calc R U . . .
C26D C 0.5275(10) 0.6574(13) 0.1454(7) 0.112(10) Uani 1 1 d D U . . .
H26D H 0.541373 0.669114 0.134323 0.135 Uiso 1 1 calc R U . . .
O22D O 0.5179(9) 0.6994(13) 0.1549(9) 0.129(14) Uani 1 1 d D U . . .
H22K H 0.520763 0.699003 0.171077 0.194 Uiso 1 1 calc R U . . .
C27D C 0.5056(9) 0.6331(14) 0.1256(8) 0.113(10) Uani 1 1 d D U . . .
H27J H 0.491766 0.616184 0.134896 0.136 Uiso 1 1 calc R U . . .
O23D O 0.4931(10) 0.6709(16) 0.1122(8) 0.133(14) Uani 1 1 d D U . . .
H23K H 0.495788 0.669273 0.096723 0.200 Uiso 1 1 calc R U . . .
C28D C 0.5201(12) 0.5983(18) 0.1110(9) 0.114(9) Uani 1 1 d D U . . .
H28J H 0.532422 0.615717 0.100392 0.136 Uiso 1 1 calc R U . . .
C29D C 0.5379(9) 0.5633(14) 0.1293(9) 0.112(10) Uani 1 1 d D U . . .
H29D H 0.525690 0.542280 0.138434 0.135 Uiso 1 1 calc R U . . .
C30D C 0.5578(13) 0.5329(19) 0.1154(9) 0.117(12) Uani 1 1 d D U . . .
H30J H 0.547143 0.515962 0.100646 0.140 Uiso 1 1 calc R U . . .
H30K H 0.571502 0.553874 0.108581 0.140 Uiso 1 1 calc R U . . .
O25D O 0.5721(11) 0.4988(19) 0.1329(10) 0.132(15) Uani 1 1 d D U . . .
H25H H 0.583097 0.482746 0.125210 0.198 Uiso 1 1 calc R U . . .
O24D O 0.5562(7) 0.5887(15) 0.1471(7) 0.109(9) Uani 1 1 d D U . . .
O26D O 0.4999(11) 0.5726(18) 0.0945(8) 0.114(9) Uani 1 1 d D U . . .
C31D C 0.5017(8) 0.5643(14) 0.0673(8) 0.116(9) Uani 1 1 d D U . . .
H31D H 0.518084 0.582633 0.062832 0.139 Uiso 1 1 calc R U . . .
C32D C 0.4774(8) 0.5833(13) 0.0522(10) 0.114(10) Uani 1 1 d D U . . .
H32J H 0.482131 0.577520 0.034395 0.137 Uiso 1 1 calc R U . . .
O27D O 0.4689(10) 0.6298(12) 0.0498(9) 0.129(14) Uani 1 1 d D U . . .
H27K H 0.477994 0.646140 0.061509 0.194 Uiso 1 1 calc R U . . .
C33D C 0.4515(8) 0.5515(13) 0.0514(10) 0.115(10) Uani 1 1 d D U . . .
H33J H 0.446613 0.549501 0.069365 0.138 Uiso 1 1 calc R U . . .
O28D O 0.4309(7) 0.5767(13) 0.0368(8) 0.127(13) Uani 1 1 d D U . . .
H28K H 0.415816 0.561902 0.036154 0.190 Uiso 1 1 calc R U . . .
C34D C 0.4591(9) 0.5031(13) 0.0436(12) 0.111(9) Uani 1 1 d D U . . .
H34D H 0.463569 0.502025 0.025541 0.134 Uiso 1 1 calc R U . . .
C35D C 0.4836(9) 0.4853(13) 0.0638(9) 0.112(10) Uani 1 1 d D U . . .
H35G H 0.478190 0.484824 0.081586 0.134 Uiso 1 1 calc R U . . .
C36D C 0.4943(13) 0.4362(14) 0.0565(10) 0.115(12) Uani 1 1 d D U . . .
H36G H 0.513052 0.430606 0.065910 0.138 Uiso 1 1 calc R U . . .
H36H H 0.481771 0.410904 0.061362 0.138 Uiso 1 1 calc R U . . .
O30D O 0.4953(13) 0.434(2) 0.0289(10) 0.139(16) Uani 1 1 d D U . . .
H30L H 0.506590 0.454903 0.024958 0.209 Uiso 1 1 calc R U . . .
O29D O 0.5065(7) 0.5156(13) 0.0625(9) 0.108(9) Uani 1 1 d D U . . .
O31D O 0.4343(10) 0.4703(14) 0.0477(8) 0.102(9) Uani 1 1 d D U . . .
C37D C 0.4254(7) 0.4400(12) 0.0254(8) 0.102(9) Uani 1 1 d D U . . .
H37J H 0.435059 0.450087 0.010577 0.123 Uiso 1 1 calc R U . . .
C38D C 0.3957(7) 0.4458(14) 0.0187(9) 0.101(9) Uani 1 1 d D U . . .
H38J H 0.391008 0.425350 0.002998 0.121 Uiso 1 1 calc R U . . .
O32D O 0.3839(8) 0.4898(12) 0.0113(8) 0.103(12) Uani 1 1 d D U . . .
H32K H 0.396393 0.510731 0.012662 0.154 Uiso 1 1 calc R U . . .
C39D C 0.3782(8) 0.4246(15) 0.0383(9) 0.099(9) Uani 1 1 d D U . . .
H39D H 0.381124 0.444122 0.054471 0.119 Uiso 1 1 calc R U . . .
O33D O 0.3515(7) 0.4312(16) 0.0265(10) 0.118(13) Uani 1 1 d D U . . .
H33K H 0.343558 0.404705 0.024148 0.177 Uiso 1 1 calc R U . . .
C40D C 0.3881(8) 0.3755(15) 0.0444(12) 0.099(9) Uani 1 1 d D U . . .
H40G H 0.383443 0.353794 0.029240 0.119 Uiso 1 1 calc R U . . .
C41D C 0.4201(9) 0.3768(13) 0.0535(8) 0.109(9) Uani 1 1 d D U . . .
H41D H 0.424907 0.397633 0.068943 0.130 Uiso 1 1 calc R U . . .
C42D C 0.4325(10) 0.3264(14) 0.0578(12) 0.114(12) Uani 1 1 d D U . . .
H42J H 0.449725 0.323614 0.049790 0.136 Uiso 1 1 calc R U . . .
H42K H 0.436950 0.319805 0.076508 0.136 Uiso 1 1 calc R U . . .
O35D O 0.4123(9) 0.2934(13) 0.0463(11) 0.157(17) Uani 1 1 d D U . . .
H35H H 0.418475 0.265504 0.048417 0.235 Uiso 1 1 calc R U . . .
O34D O 0.4328(8) 0.3926(12) 0.0322(8) 0.102(9) Uani 1 1 d D U . . .
O36D O 0.3746(9) 0.3607(13) 0.0660(9) 0.090(8) Uani 1 1 d D U . . .
C43D C 0.3631(6) 0.3128(14) 0.0659(7) 0.090(8) Uani 1 1 d D U . . .
H43G H 0.365032 0.297449 0.048968 0.108 Uiso 1 1 calc R U . . .
C44D C 0.3339(6) 0.3179(17) 0.0679(6) 0.086(8) Uani 1 1 d D U . . .
H44D H 0.327781 0.283913 0.068241 0.103 Uiso 1 1 calc R U . . .
O37D O 0.3145(7) 0.3368(15) 0.0487(7) 0.110(12) Uani 1 1 d D U . . .
H37K H 0.322672 0.348577 0.037036 0.165 Uiso 1 1 calc R U . . .
C45D C 0.3283(7) 0.3354(16) 0.0944(6) 0.078(8) Uani 1 1 d D U . . .
H45D H 0.334997 0.368978 0.096938 0.094 Uiso 1 1 calc R U . . .
O38D O 0.2998(6) 0.3345(14) 0.0928(6) 0.078(10) Uani 1 1 d D U . . .
H38K H 0.295069 0.344154 0.106740 0.117 Uiso 1 1 calc R U . . .
C46D C 0.3441(7) 0.3045(19) 0.1143(7) 0.074(8) Uani 1 1 d D U . . .
H46D H 0.335817 0.271808 0.114182 0.088 Uiso 1 1 calc R U . . .
C47D C 0.3752(7) 0.3024(12) 0.1107(6) 0.078(8) Uani 1 1 d D U . . .
H47G H 0.383331 0.335183 0.112763 0.093 Uiso 1 1 calc R U . . .
C48D C 0.3926(8) 0.2685(15) 0.1289(9) 0.082(10) Uani 1 1 d D U . . .
H48J H 0.411417 0.266247 0.123758 0.098 Uiso 1 1 calc R U . . .
H48K H 0.394503 0.281768 0.146610 0.098 Uiso 1 1 calc R U . . .
O40D O 0.3811(8) 0.2219(13) 0.1292(8) 0.090(12) Uani 1 1 d D U . . .
H40H H 0.364679 0.223657 0.132585 0.135 Uiso 1 1 calc R U . . .
O39D O 0.3780(7) 0.2853(12) 0.0859(6) 0.079(8) Uani 1 1 d D U . . .
O1E O 0.2893(7) 0.6370(11) 0.2676(6) 0.058(7) Uani 1 1 d D U . . .
C1E C 0.3058(6) 0.6088(10) 0.2877(7) 0.063(7) Uani 1 1 d D U . . .
H1E H 0.295411 0.605917 0.302898 0.075 Uiso 1 1 calc R U . . .
C2E C 0.3316(6) 0.6343(12) 0.2956(7) 0.064(8) Uani 1 1 d D U . . .
H2E1 H 0.341257 0.613350 0.309497 0.076 Uiso 1 1 calc R U . . .
O2E O 0.3320(7) 0.6782(11) 0.3075(7) 0.079(10) Uani 1 1 d D U . . .
H2E2 H 0.315686 0.687912 0.307513 0.119 Uiso 1 1 calc R U . . .
C3E C 0.3520(7) 0.6350(11) 0.2758(7) 0.059(8) Uani 1 1 d D U . . .
H3E1 H 0.344583 0.655917 0.260926 0.071 Uiso 1 1 calc R U . . .
O3E O 0.3758(6) 0.6548(13) 0.2887(7) 0.076(10) Uani 1 1 d D U . . .
H3E2 H 0.389071 0.635522 0.288754 0.113 Uiso 1 1 calc R U . . .
C4E C 0.3554(7) 0.5858(13) 0.2664(9) 0.062(7) Uani 1 1 d D U . . .
H4E H 0.365510 0.566131 0.280657 0.074 Uiso 1 1 calc R U . . .
C5E C 0.3263(7) 0.5636(12) 0.2577(7) 0.062(7) Uani 1 1 d D U . . .
H5E H 0.316324 0.581425 0.242676 0.074 Uiso 1 1 calc R U . . .
C6E C 0.3289(7) 0.5102(13) 0.2512(10) 0.068(9) Uani 1 1 d D U . . .
H6E1 H 0.343371 0.505866 0.239744 0.082 Uiso 1 1 calc R U . . .
H6E2 H 0.334436 0.491853 0.267207 0.082 Uiso 1 1 calc R U . . .
O5E O 0.3027(8) 0.4929(13) 0.2385(8) 0.077(11) Uani 1 1 d D U . . .
H5E1 H 0.304262 0.464014 0.234669 0.115 Uiso 1 1 calc R U . . .
O4E O 0.3107(6) 0.5631(9) 0.2785(7) 0.068(7) Uani 1 1 d D U . . .
O6E O 0.3720(7) 0.5907(12) 0.2466(7) 0.065(7) Uani 1 1 d D U . . .
C7E C 0.3990(7) 0.5681(11) 0.2486(7) 0.071(8) Uani 1 1 d D U . . .
H7E1 H 0.405445 0.562555 0.267389 0.086 Uiso 1 1 calc R U . . .
C8E C 0.4182(8) 0.6014(12) 0.2394(6) 0.074(8) Uani 1 1 d D U . . .
H8E1 H 0.436685 0.585196 0.242853 0.088 Uiso 1 1 calc R U . . .
O7E O 0.4231(9) 0.6471(12) 0.2494(7) 0.099(12) Uani 1 1 d D U . . .
H7E2 H 0.412884 0.652114 0.260823 0.148 Uiso 1 1 calc R U . . .
C9E C 0.4130(9) 0.6063(12) 0.2098(6) 0.075(8) Uani 1 1 d D U . . .
H9E H 0.394392 0.621230 0.204450 0.090 Uiso 1 1 calc R U . . .
O8E O 0.4336(9) 0.6368(13) 0.2048(7) 0.089(11) Uani 1 1 d D U . . .
H8E2 H 0.443953 0.622878 0.195474 0.134 Uiso 1 1 calc R U . . .
C10E C 0.4136(11) 0.5581(13) 0.1989(7) 0.073(8) Uani 1 1 d D U . . .
H10K H 0.432602 0.544236 0.203492 0.088 Uiso 1 1 calc R U . . .
C11E C 0.3921(8) 0.5257(11) 0.2096(7) 0.073(8) Uani 1 1 d D U . . .
H11G H 0.372997 0.539128 0.204752 0.087 Uiso 1 1 calc R U . . .
C12E C 0.3928(9) 0.4742(12) 0.1999(9) 0.075(10) Uani 1 1 d D U . . .
H12R H 0.377953 0.455751 0.206684 0.090 Uiso 1 1 calc R U . . .
H12S H 0.388807 0.474112 0.180862 0.090 Uiso 1 1 calc R U . . .
O10E O 0.4188(8) 0.4512(13) 0.2075(8) 0.075(11) Uani 1 1 d D U . . .
H10L H 0.422040 0.450421 0.223725 0.113 Uiso 1 1 calc R U . . .
O9E O 0.3981(8) 0.5234(10) 0.2363(6) 0.069(7) Uani 1 1 d D U . . .
O11E O 0.4078(8) 0.5637(14) 0.1711(7) 0.079(8) Uani 1 1 d D U . . .
C13E C 0.4279(8) 0.5434(12) 0.1557(6) 0.087(8) Uani 1 1 d D U . . .
H13N H 0.444925 0.533351 0.167331 0.104 Uiso 1 1 calc R U . . .
C14E C 0.4348(8) 0.5801(14) 0.1386(7) 0.092(9) Uani 1 1 d D U . . .
H14G H 0.445550 0.561220 0.127057 0.111 Uiso 1 1 calc R U . . .
O12E O 0.4525(9) 0.6183(15) 0.1442(7) 0.123(13) Uani 1 1 d D U . . .
H12T H 0.456551 0.620893 0.160304 0.185 Uiso 1 1 calc R U . . .
C15E C 0.4099(8) 0.5961(13) 0.1190(8) 0.093(9) Uani 1 1 d D U . . .
H15K H 0.395570 0.611234 0.128405 0.111 Uiso 1 1 calc R U . . .
O13E O 0.4230(10) 0.6304(14) 0.1064(8) 0.120(13) Uani 1 1 d D U . . .
H13O H 0.422160 0.623054 0.090699 0.179 Uiso 1 1 calc R U . . .
C16E C 0.3982(12) 0.5534(14) 0.1052(8) 0.091(8) Uani 1 1 d D U . . .
H16G H 0.411758 0.540841 0.094068 0.109 Uiso 1 1 calc R U . . .
C17E C 0.3922(8) 0.5141(12) 0.1247(8) 0.089(9) Uani 1 1 d D U . . .
H17N H 0.376707 0.524029 0.134397 0.107 Uiso 1 1 calc R U . . .
C18E C 0.3855(12) 0.4659(14) 0.1110(8) 0.090(11) Uani 1 1 d D U . . .
H18R H 0.370862 0.470560 0.096104 0.108 Uiso 1 1 calc R U . . .
H18S H 0.402339 0.453757 0.104403 0.108 Uiso 1 1 calc R U . . .
O15E O 0.3763(10) 0.4318(11) 0.1284(9) 0.097(12) Uani 1 1 d D U . . .
H15L H 0.372931 0.405706 0.120721 0.145 Uiso 1 1 calc R U . . .
O14E O 0.4162(8) 0.5036(11) 0.1418(6) 0.088(8) Uani 1 1 d D U . . .
O16E O 0.3725(9) 0.5648(15) 0.0891(7) 0.088(8) Uani 1 1 d D U . . .
C19E C 0.3691(7) 0.5515(12) 0.0620(7) 0.085(8) Uani 1 1 d D U . . .
H19E H 0.386323 0.534990 0.058185 0.102 Uiso 1 1 calc R U . . .
C20E C 0.3652(7) 0.5942(13) 0.0467(9) 0.087(9) Uani 1 1 d D U . . .
H20I H 0.363548 0.580467 0.028949 0.105 Uiso 1 1 calc R U . . .
O17E O 0.3850(7) 0.6290(14) 0.0450(8) 0.107(12) Uani 1 1 d D U . . .
H17O H 0.398443 0.624768 0.056735 0.160 Uiso 1 1 calc R U . . .
C21E C 0.3369(7) 0.6191(12) 0.0457(9) 0.083(9) Uani 1 1 d D U . . .
H21E H 0.334980 0.633511 0.062810 0.100 Uiso 1 1 calc R U . . .
O18E O 0.3390(7) 0.6540(12) 0.0279(8) 0.085(11) Uani 1 1 d D U . . .
H18T H 0.325827 0.651492 0.015802 0.127 Uiso 1 1 calc R U . . .
C22E C 0.3155(8) 0.5816(14) 0.0391(11) 0.085(8) Uani 1 1 d D U . . .
H22L H 0.315592 0.568704 0.021300 0.102 Uiso 1 1 calc R U . . .
C23E C 0.3212(7) 0.5424(12) 0.0602(8) 0.086(8) Uani 1 1 d D U . . .
H23L H 0.322318 0.556520 0.077845 0.104 Uiso 1 1 calc R U . . .
C24E C 0.2999(9) 0.5021(17) 0.0566(9) 0.092(11) Uani 1 1 d D U . . .
H24I H 0.305572 0.476707 0.069354 0.111 Uiso 1 1 calc R U . . .
H24J H 0.281609 0.514468 0.060005 0.111 Uiso 1 1 calc R U . . .
O20E O 0.2970(10) 0.4823(16) 0.0313(8) 0.096(12) Uani 1 1 d D U . . .
H20J H 0.312376 0.471087 0.028457 0.144 Uiso 1 1 calc R U . . .
O19E O 0.3462(7) 0.5198(10) 0.0567(7) 0.086(8) Uani 1 1 d D U . . .
O21E O 0.2907(8) 0.6080(16) 0.0416(8) 0.089(8) Uani 1 1 d D U . . .
C25E C 0.2679(8) 0.6029(12) 0.0206(8) 0.104(9) Uani 1 1 d D U . . .
H25I H 0.275374 0.589585 0.005219 0.125 Uiso 1 1 calc R U . . .
C26E C 0.2576(9) 0.6504(13) 0.0146(9) 0.107(9) Uani 1 1 d D U . . .
H26E H 0.241874 0.642951 0.000738 0.129 Uiso 1 1 calc R U . . .
O22E O 0.2709(8) 0.6855(15) 0.0026(9) 0.130(14) Uani 1 1 d D U . . .
H22M H 0.287412 0.677291 0.001875 0.195 Uiso 1 1 calc R U . . .
C27E C 0.2414(10) 0.6734(13) 0.0348(9) 0.113(10) Uani 1 1 d D U . . .
H27L H 0.253851 0.678968 0.051413 0.135 Uiso 1 1 calc R U . . .
O23E O 0.2325(10) 0.7159(13) 0.0235(10) 0.128(13) Uani 1 1 d D U . . .
H23M H 0.215099 0.716575 0.021199 0.192 Uiso 1 1 calc R U . . .
C28E C 0.2194(10) 0.6382(14) 0.0383(13) 0.113(9) Uani 1 1 d D U . . .
H28L H 0.204855 0.634747 0.022975 0.136 Uiso 1 1 calc R U . . .
C29E C 0.2339(10) 0.5906(13) 0.0476(9) 0.113(10) Uani 1 1 d D U . . .
H29E H 0.247736 0.596280 0.063252 0.136 Uiso 1 1 calc R U . . .
C30E C 0.2132(10) 0.5522(17) 0.0532(14) 0.120(12) Uani 1 1 d D U . . .
H30M H 0.202390 0.563441 0.066728 0.143 Uiso 1 1 calc R U . . .
H30N H 0.200085 0.545540 0.037362 0.143 Uiso 1 1 calc R U . . .
O25E O 0.2280(12) 0.5097(16) 0.0616(12) 0.144(16) Uani 1 1 d D U . . .
H25J H 0.216590 0.488293 0.064190 0.215 Uiso 1 1 calc R U . . .
O24E O 0.2473(8) 0.5719(12) 0.0276(9) 0.104(9) Uani 1 1 d D U . . .
O26E O 0.2088(9) 0.6579(18) 0.0618(10) 0.116(9) Uani 1 1 d D U . . .
C31E C 0.1788(10) 0.6590(13) 0.0616(8) 0.120(9) Uani 1 1 d D U . . .
H31E H 0.169677 0.647791 0.044399 0.144 Uiso 1 1 calc R U . . .
C32E C 0.1705(12) 0.7077(13) 0.0654(7) 0.117(10) Uani 1 1 d D U . . .
H32L H 0.150051 0.703410 0.065592 0.140 Uiso 1 1 calc R U . . .
O27E O 0.1703(10) 0.7435(17) 0.0471(8) 0.158(15) Uani 1 1 d D U . . .
H27M H 0.179538 0.734673 0.035464 0.238 Uiso 1 1 calc R U . . .
C33E C 0.1792(10) 0.7275(13) 0.0926(7) 0.118(10) Uani 1 1 d D U . . .
H33L H 0.199932 0.729638 0.095438 0.142 Uiso 1 1 calc R U . . .
O28E O 0.1689(10) 0.7728(13) 0.0927(8) 0.123(13) Uani 1 1 d D U . . .
H28M H 0.158863 0.775289 0.104582 0.185 Uiso 1 1 calc R U . . .
C34E C 0.1706(15) 0.6926(13) 0.1111(7) 0.109(9) Uani 1 1 d D U . . .
H34E H 0.149938 0.691811 0.110339 0.131 Uiso 1 1 calc R U . . .
C35E C 0.1821(10) 0.6426(13) 0.1058(8) 0.116(10) Uani 1 1 d D U . . .
H35I H 0.202838 0.644055 0.107296 0.139 Uiso 1 1 calc R U . . .
C36E C 0.1737(9) 0.6026(18) 0.1229(10) 0.120(12) Uani 1 1 d D U . . .
H36I H 0.180712 0.571843 0.117197 0.144 Uiso 1 1 calc R U . . .
H36J H 0.182143 0.608264 0.140950 0.144 Uiso 1 1 calc R U . . .
O30E O 0.1442(9) 0.600(2) 0.1218(12) 0.149(17) Uani 1 1 d D U . . .
H30O H 0.138124 0.626615 0.126133 0.224 Uiso 1 1 calc R U . . .
O29E O 0.1714(10) 0.6280(13) 0.0808(8) 0.119(9) Uani 1 1 d D U . . .
O31E O 0.1837(9) 0.7070(15) 0.1362(8) 0.094(8) Uani 1 1 d D U . . .
C37E C 0.1646(8) 0.7210(11) 0.1540(6) 0.083(8) Uani 1 1 d D U . . .
H37L H 0.146940 0.731592 0.143542 0.099 Uiso 1 1 calc R U . . .
C38E C 0.1765(8) 0.7620(11) 0.1686(6) 0.080(8) Uani 1 1 d D U . . .
H38L H 0.161426 0.774707 0.177966 0.097 Uiso 1 1 calc R U . . .
O32E O 0.1854(9) 0.8005(13) 0.1548(7) 0.098(11) Uani 1 1 d D U . . .
H32M H 0.182591 0.794479 0.138951 0.146 Uiso 1 1 calc R U . . .
C39E C 0.2003(8) 0.7475(12) 0.1896(7) 0.075(8) Uani 1 1 d D U . . .
H39E H 0.215695 0.734652 0.180697 0.090 Uiso 1 1 calc R U . . .
O33E O 0.2090(9) 0.7898(12) 0.2003(6) 0.093(11) Uani 1 1 d D U . . .
H33M H 0.207367 0.789524 0.216117 0.139 Uiso 1 1 calc R U . . .
C40E C 0.1905(11) 0.7084(13) 0.2048(7) 0.069(8) Uani 1 1 d D U . . .
H40I H 0.174587 0.719178 0.213598 0.083 Uiso 1 1 calc R U . . .
C41E C 0.1815(8) 0.6667(12) 0.1860(7) 0.076(8) Uani 1 1 d D U . . .
H41E H 0.196948 0.659642 0.175736 0.091 Uiso 1 1 calc R U . . .
C42E C 0.1728(11) 0.6204(12) 0.1977(9) 0.086(10) Uani 1 1 d D U . . .
H42L H 0.162739 0.600305 0.183943 0.103 Uiso 1 1 calc R U . . .
H42M H 0.189566 0.602807 0.205370 0.103 Uiso 1 1 calc R U . . .
O35E O 0.1554(7) 0.6283(15) 0.2171(8) 0.092(12) Uani 1 1 d D U . . .
H35J H 0.151480 0.602108 0.223518 0.138 Uiso 1 1 calc R U . . .
O34E O 0.1584(7) 0.6823(11) 0.1692(6) 0.077(8) Uani 1 1 d D U . . .
O36E O 0.2145(8) 0.6949(13) 0.2240(6) 0.063(7) Uani 1 1 d D U . . .
C43E C 0.2094(6) 0.6863(10) 0.2503(6) 0.058(7) Uani 1 1 d D U . . .
H43H H 0.189925 0.695852 0.252298 0.070 Uiso 1 1 calc R U . . .
C44E C 0.2290(6) 0.7164(10) 0.2664(7) 0.061(7) Uani 1 1 d D U . . .
H44E H 0.226036 0.707902 0.284453 0.073 Uiso 1 1 calc R U . . .
O37E O 0.2260(7) 0.7656(9) 0.2656(6) 0.065(9) Uani 1 1 d D U . . .
H37M H 0.213389 0.773038 0.253613 0.098 Uiso 1 1 calc R U . . .
C45E C 0.2593(6) 0.7023(10) 0.2651(8) 0.057(7) Uani 1 1 d D U . . .
H45E H 0.262490 0.703324 0.246600 0.069 Uiso 1 1 calc R U . . .
O38E O 0.2744(6) 0.7380(11) 0.2779(8) 0.087(10) Uani 1 1 d D U . . .
H38M H 0.284812 0.726566 0.290564 0.130 Uiso 1 1 calc R U . . .
C46E C 0.2615(7) 0.6523(10) 0.2738(9) 0.055(7) Uani 1 1 d D U . . .
H46E H 0.259464 0.648447 0.292479 0.066 Uiso 1 1 calc R U . . .
C47E C 0.2406(6) 0.6215(10) 0.2557(8) 0.054(7) Uani 1 1 d D U . . .
H47H H 0.245250 0.621300 0.237607 0.065 Uiso 1 1 calc R U . . .
C48E C 0.2386(9) 0.5703(10) 0.2663(9) 0.058(9) Uani 1 1 d D U . . .
H48L H 0.257098 0.554758 0.268172 0.070 Uiso 1 1 calc R U . . .
H48M H 0.232226 0.571248 0.283530 0.070 Uiso 1 1 calc R U . . .
O40E O 0.2192(9) 0.5442(11) 0.2485(8) 0.095(12) Uani 1 1 d D U . . .
H40J H 0.218101 0.516004 0.253688 0.142 Uiso 1 1 calc R U . . .
O39E O 0.2134(6) 0.6376(9) 0.2565(6) 0.061(7) Uani 1 1 d D U . . .
O1F O 0.1677(8) 0.3567(16) 0.0674(9) 0.101(9) Uani 1 1 d D U . . .
C1F C 0.1977(9) 0.3626(11) 0.0684(7) 0.095(8) Uani 1 1 d D U . . .
H1F H 0.202073 0.377349 0.052000 0.114 Uiso 1 1 calc R U . . .
C2F C 0.2083(10) 0.3138(12) 0.0706(6) 0.094(9) Uani 1 1 d D U . . .
H2F H 0.228814 0.316911 0.070518 0.112 Uiso 1 1 calc R U . . .
O2F O 0.1994(8) 0.2833(14) 0.0503(7) 0.098(12) Uani 1 1 d D U . . .
H2F1 H 0.187448 0.297274 0.039718 0.148 Uiso 1 1 calc R U . . .
C3F C 0.2052(10) 0.2901(12) 0.0964(6) 0.091(9) Uani 1 1 d D U . . .
H3F H 0.185057 0.284837 0.097611 0.109 Uiso 1 1 calc R U . . .
O3F O 0.2185(10) 0.2468(12) 0.0967(7) 0.097(11) Uani 1 1 d D U . . .
H3F1 H 0.231720 0.246196 0.108824 0.145 Uiso 1 1 calc R U . . .
C4F C 0.2170(12) 0.3235(12) 0.1171(7) 0.081(8) Uani 1 1 d D U . . .
H4F H 0.237473 0.327177 0.117186 0.097 Uiso 1 1 calc R U . . .
C5F C 0.2022(9) 0.3723(12) 0.1132(7) 0.083(8) Uani 1 1 d D U . . .
H5F H 0.181659 0.368063 0.112497 0.099 Uiso 1 1 calc R U . . .
C6F C 0.2126(7) 0.4105(16) 0.1331(9) 0.081(10) Uani 1 1 d D U . . .
H6F1 H 0.203504 0.441223 0.127964 0.098 Uiso 1 1 calc R U . . .
H6F2 H 0.207399 0.401435 0.150135 0.098 Uiso 1 1 calc R U . . .
O5F O 0.2420(6) 0.4161(14) 0.1353(8) 0.080(11) Uani 1 1 d D U . . .
H5F1 H 0.249730 0.389694 0.139009 0.120 Uiso 1 1 calc R U . . .
O4F O 0.2084(8) 0.3910(11) 0.0896(6) 0.088(8) Uani 1 1 d D U . . .
O6F O 0.2110(8) 0.2977(14) 0.1411(7) 0.076(8) Uani 1 1 d D U . . .
C7F C 0.2355(7) 0.2829(11) 0.1580(6) 0.071(8) Uani 1 1 d D U . . .
H7F H 0.250019 0.273531 0.147101 0.086 Uiso 1 1 calc R U . . .
C8F C 0.2278(9) 0.2407(11) 0.1717(6) 0.070(8) Uani 1 1 d D U . . .
H8F H 0.245663 0.228514 0.181234 0.084 Uiso 1 1 calc R U . . .
O7F O 0.2164(9) 0.2021(12) 0.1571(7) 0.083(10) Uani 1 1 d D U . . .
H7F1 H 0.214569 0.209310 0.141367 0.124 Uiso 1 1 calc R U . . .
C9F C 0.2096(9) 0.2517(10) 0.1928(6) 0.069(8) Uani 1 1 d D U . . .
H9F H 0.190691 0.261733 0.184507 0.083 Uiso 1 1 calc R U . . .
O8F O 0.2076(7) 0.2084(9) 0.2047(6) 0.068(9) Uani 1 1 d D U . . .
H8F1 H 0.213989 0.210797 0.220452 0.103 Uiso 1 1 calc R U . . .
C10F C 0.2226(11) 0.2918(12) 0.2089(7) 0.066(7) Uani 1 1 d D U . . .
H10M H 0.241080 0.281200 0.217943 0.080 Uiso 1 1 calc R U . . .
C11F C 0.2270(8) 0.3344(11) 0.1910(7) 0.068(8) Uani 1 1 d D U . . .
H11H H 0.208893 0.342026 0.180363 0.082 Uiso 1 1 calc R U . . .
C12F C 0.2393(9) 0.3803(11) 0.2032(9) 0.073(10) Uani 1 1 d D U . . .
H12U H 0.244160 0.401669 0.189430 0.088 Uiso 1 1 calc R U . . .
H12V H 0.225109 0.396555 0.211954 0.088 Uiso 1 1 calc R U . . .
O10F O 0.2634(8) 0.3725(15) 0.2214(8) 0.081(11) Uani 1 1 d D U . . .
H10N H 0.269194 0.398750 0.227756 0.121 Uiso 1 1 calc R U . . .
O9F O 0.2461(7) 0.3206(11) 0.1743(6) 0.068(7) Uani 1 1 d D U . . .
O11F O 0.2061(8) 0.3096(12) 0.2276(6) 0.059(7) Uani 1 1 d D U . . .
C13F C 0.2181(7) 0.3147(10) 0.2545(6) 0.058(7) Uani 1 1 d D U . . .
H13P H 0.238000 0.304653 0.256676 0.070 Uiso 1 1 calc R U . . .
C14F C 0.2027(6) 0.2843(10) 0.2702(8) 0.061(7) Uani 1 1 d D U . . .
H14H H 0.210669 0.292164 0.288328 0.073 Uiso 1 1 calc R U . . .
O12F O 0.2051(8) 0.2350(10) 0.2689(6) 0.082(10) Uani 1 1 d D U . . .
H12W H 0.214635 0.227763 0.257254 0.123 Uiso 1 1 calc R U . . .
C15F C 0.1722(6) 0.2995(10) 0.2686(7) 0.059(7) Uani 1 1 d D U . . .
H15M H 0.164191 0.297750 0.249936 0.071 Uiso 1 1 calc R U . . .
O13F O 0.1592(7) 0.2657(11) 0.2811(7) 0.074(10) Uani 1 1 d D U . . .
H13Q H 0.151373 0.278584 0.292695 0.110 Uiso 1 1 calc R U . . .
C16F C 0.1714(7) 0.3495(9) 0.2761(9) 0.054(7) Uani 1 1 d D U . . .
H16H H 0.177591 0.353935 0.294991 0.064 Uiso 1 1 calc R U . . .
C17F C 0.1888(7) 0.3801(9) 0.2596(8) 0.057(7) Uani 1 1 d D U . . .
H17P H 0.180011 0.381400 0.241154 0.068 Uiso 1 1 calc R U . . .
C18F C 0.1936(10) 0.4304(11) 0.2711(9) 0.064(9) Uani 1 1 d D U . . .
H18U H 0.175606 0.446189 0.272265 0.076 Uiso 1 1 calc R U . . .
H18V H 0.204192 0.428534 0.288629 0.076 Uiso 1 1 calc R U . . .
O15F O 0.2090(9) 0.4566(10) 0.2543(8) 0.080(11) Uani 1 1 d D U . . .
H15N H 0.223975 0.442487 0.253142 0.120 Uiso 1 1 calc R U . . .
O14F O 0.2163(6) 0.3631(9) 0.2617(6) 0.057(7) Uani 1 1 d D U . . .
O16F O 0.1424(7) 0.3643(11) 0.2688(6) 0.053(6) Uani 1 1 d D U . . .
C19F C 0.1303(6) 0.3912(9) 0.2884(6) 0.054(7) Uani 1 1 d D U . . .
H19F H 0.144612 0.395450 0.303857 0.065 Uiso 1 1 calc R U . . .
C20F C 0.1073(6) 0.3642(13) 0.2956(7) 0.055(7) Uani 1 1 d D U . . .
H20K H 0.100681 0.387391 0.307928 0.066 Uiso 1 1 calc R U . . .
O17F O 0.1099(8) 0.3243(11) 0.3112(7) 0.089(11) Uani 1 1 d D U . . .
H17Q H 0.126437 0.314766 0.312970 0.134 Uiso 1 1 calc R U . . .
C21F C 0.0816(6) 0.3628(12) 0.2754(7) 0.059(8) Uani 1 1 d D U . . .
H21F H 0.085190 0.341796 0.260783 0.071 Uiso 1 1 calc R U . . .
O18F O 0.0617(6) 0.3422(12) 0.2882(6) 0.061(9) Uani 1 1 d D U . . .
H18W H 0.048143 0.360873 0.288029 0.092 Uiso 1 1 calc R U . . .
C22F C 0.0754(6) 0.4116(13) 0.2657(9) 0.059(7) Uani 1 1 d D U . . .
H22N H 0.069115 0.431373 0.279756 0.071 Uiso 1 1 calc R U . . .
C23F C 0.1016(7) 0.4349(12) 0.2569(7) 0.058(7) Uani 1 1 d D U . . .
H23N H 0.107657 0.415950 0.242458 0.070 Uiso 1 1 calc R U . . .
C24F C 0.0973(8) 0.4874(13) 0.2485(10) 0.068(9) Uani 1 1 d D U . . .
H24K H 0.080269 0.490429 0.235914 0.081 Uiso 1 1 calc R U . . .
H24L H 0.095198 0.507510 0.263693 0.081 Uiso 1 1 calc R U . . .
O20F O 0.1211(7) 0.5025(13) 0.2370(7) 0.070(10) Uani 1 1 d D U . . .
H20L H 0.118853 0.530881 0.232019 0.105 Uiso 1 1 calc R U . . .
O19F O 0.1229(6) 0.4358(9) 0.2776(6) 0.055(7) Uani 1 1 d D U . . .
O21F O 0.0530(7) 0.4075(13) 0.2447(8) 0.067(7) Uani 1 1 d D U . . .
C25F C 0.0262(7) 0.4298(11) 0.2470(7) 0.077(8) Uani 1 1 d D U . . .
H25K H 0.025265 0.435689 0.265745 0.092 Uiso 1 1 calc R U . . .
C26F C 0.0045(8) 0.3960(13) 0.2375(6) 0.075(8) Uani 1 1 d D U . . .
H26F H -0.012903 0.410968 0.241940 0.090 Uiso 1 1 calc R U . . .
O22F O 0.0040(9) 0.3495(13) 0.2473(7) 0.112(13) Uani 1 1 d D U . . .
H22O H 0.017711 0.345296 0.258621 0.169 Uiso 1 1 calc R U . . .
C27F C 0.0001(9) 0.3933(13) 0.2079(6) 0.082(9) Uani 1 1 d D U . . .
H27N H 0.016756 0.378456 0.201826 0.099 Uiso 1 1 calc R U . . .
O23F O -0.0223(7) 0.3643(12) 0.2019(7) 0.084(11) Uani 1 1 d D U . . .
H23O H -0.025118 0.359920 0.185891 0.127 Uiso 1 1 calc R U . . .
C28F C -0.0035(10) 0.4424(13) 0.1975(7) 0.082(8) Uani 1 1 d D U . . .
H28N H -0.020598 0.457663 0.202646 0.098 Uiso 1 1 calc R U . . .
C29F C 0.0228(8) 0.4718(12) 0.2074(7) 0.080(8) Uani 1 1 d D U . . .
H29F H 0.039757 0.456365 0.202137 0.096 Uiso 1 1 calc R U . . .
C30F C 0.0205(10) 0.5235(13) 0.1981(10) 0.084(11) Uani 1 1 d D U . . .
H30P H 0.037832 0.540688 0.204408 0.101 Uiso 1 1 calc R U . . .
H30Q H 0.018024 0.524047 0.178960 0.101 Uiso 1 1 calc R U . . .
O25F O -0.0026(10) 0.5471(15) 0.2071(10) 0.102(13) Uani 1 1 d D U . . .
H25L H 0.000162 0.548852 0.223269 0.153 Uiso 1 1 calc R U . . .
O24F O 0.0248(7) 0.4740(10) 0.2342(6) 0.074(8) Uani 1 1 d D U . . .
O26F O -0.0059(8) 0.4366(14) 0.1679(8) 0.085(8) Uani 1 1 d D U . . .
C31F C -0.0312(7) 0.4587(12) 0.1545(6) 0.096(8) Uani 1 1 d D U . . .
H31F H -0.044290 0.467461 0.167002 0.115 Uiso 1 1 calc R U . . .
C32F C -0.0435(9) 0.4234(14) 0.1361(7) 0.102(9) Uani 1 1 d D U . . .
H32N H -0.057616 0.442269 0.124625 0.123 Uiso 1 1 calc R U . . .
O27F O -0.0590(8) 0.3859(14) 0.1438(8) 0.126(14) Uani 1 1 d D U . . .
H27O H -0.056661 0.384129 0.160008 0.189 Uiso 1 1 calc R U . . .
C33F C -0.0231(9) 0.4078(13) 0.1178(8) 0.103(9) Uani 1 1 d D U . . .
H33N H -0.006425 0.392090 0.127584 0.124 Uiso 1 1 calc R U . . .
O28F O -0.0384(10) 0.3756(14) 0.1019(7) 0.110(12) Uani 1 1 d D U . . .
H28O H -0.040833 0.386239 0.086719 0.164 Uiso 1 1 calc R U . . .
C34F C -0.0151(13) 0.4518(15) 0.1048(8) 0.101(9) Uani 1 1 d D U . . .
H34F H -0.031905 0.464996 0.093893 0.121 Uiso 1 1 calc R U . . .
C35F C -0.0035(9) 0.4898(12) 0.1250(8) 0.100(9) Uani 1 1 d D U . . .
H35K H 0.014477 0.479022 0.134986 0.119 Uiso 1 1 calc R U . . .
C36F C -0.0004(13) 0.5388(15) 0.1127(8) 0.099(11) Uani 1 1 d D U . . .
H36K H 0.010767 0.535305 0.098286 0.118 Uiso 1 1 calc R U . . .
H36L H -0.018989 0.550668 0.105423 0.118 Uiso 1 1 calc R U . . .
O30F O 0.0127(10) 0.5730(14) 0.1307(9) 0.101(13) Uani 1 1 d D U . . .
H30R H 0.003988 0.574629 0.143517 0.152 Uiso 1 1 calc R U . . .
O29F O -0.0232(9) 0.4994(11) 0.1415(7) 0.099(8) Uani 1 1 d D U . . .
O31F O 0.0064(11) 0.4409(17) 0.0881(8) 0.107(9) Uani 1 1 d D U . . .
C37F C 0.0028(9) 0.4578(14) 0.0616(8) 0.121(9) Uani 1 1 d D U . . .
H37N H -0.015630 0.473862 0.057741 0.145 Uiso 1 1 calc R U . . .
C38F C 0.0037(8) 0.4181(15) 0.0439(10) 0.124(10) Uani 1 1 d D U . . .
H38N H 0.001877 0.433579 0.026562 0.149 Uiso 1 1 calc R U . . .
O32F O -0.0157(8) 0.3819(16) 0.0408(8) 0.127(14) Uani 1 1 d D U . . .
H32O H -0.026371 0.384381 0.052170 0.190 Uiso 1 1 calc R U . . .
C39F C 0.0322(8) 0.3934(15) 0.0463(10) 0.126(10) Uani 1 1 d D U . . .
H39F H 0.035917 0.376174 0.063159 0.151 Uiso 1 1 calc R U . . .
O33F O 0.0301(10) 0.3612(13) 0.0264(7) 0.122(13) Uani 1 1 d D U . . .
H33O H 0.018204 0.340416 0.028648 0.183 Uiso 1 1 calc R U . . .
C40F C 0.0528(8) 0.4315(18) 0.0454(13) 0.126(10) Uani 1 1 d D U . . .
H40K H 0.049171 0.446355 0.027866 0.151 Uiso 1 1 calc R U . . .
C41F C 0.0507(9) 0.4715(15) 0.0654(9) 0.132(10) Uani 1 1 d D U . . .
H41F H 0.053974 0.459165 0.083487 0.159 Uiso 1 1 calc R U . . .
C42F C 0.0703(12) 0.514(2) 0.0613(12) 0.136(13) Uani 1 1 d D U . . .
H42N H 0.063319 0.543103 0.068586 0.163 Uiso 1 1 calc R U . . .
H42O H 0.089126 0.507004 0.070436 0.163 Uiso 1 1 calc R U . . .
O35F O 0.0715(15) 0.520(2) 0.0342(12) 0.166(18) Uani 1 1 d D U . . .
H35L H 0.055479 0.525469 0.026596 0.249 Uiso 1 1 calc R U . . .
O34F O 0.0240(9) 0.4916(12) 0.0593(9) 0.126(10) Uani 1 1 d D U . . .
O36F O 0.0768(10) 0.4058(19) 0.0464(9) 0.122(10) Uani 1 1 d D U . . .
C43F C 0.0964(7) 0.4136(13) 0.0283(7) 0.126(10) Uani 1 1 d D U . . .
H43I H 0.085471 0.429621 0.013103 0.151 Uiso 1 1 calc R U . . .
C44F C 0.1031(8) 0.3670(13) 0.0191(9) 0.125(10) Uani 1 1 d D U . . .
H44F H 0.111131 0.372818 0.002697 0.150 Uiso 1 1 calc R U . . .
O37F O 0.0819(9) 0.3334(16) 0.0129(10) 0.123(13) Uani 1 1 d D U . . .
H37O H 0.066610 0.345516 0.015190 0.184 Uiso 1 1 calc R U . . .
C45F C 0.1265(9) 0.3436(14) 0.0376(10) 0.126(10) Uani 1 1 d D U . . .
H45F H 0.118987 0.337463 0.054231 0.151 Uiso 1 1 calc R U . . .
O38F O 0.1296(8) 0.3007(13) 0.0265(11) 0.150(15) Uani 1 1 d D U . . .
H38O H 0.146360 0.296868 0.024555 0.226 Uiso 1 1 calc R U . . .
C46F C 0.1492(8) 0.3785(15) 0.0431(13) 0.120(9) Uani 1 1 d D U . . .
H46F H 0.159459 0.385380 0.028117 0.144 Uiso 1 1 calc R U . . .
C47F C 0.1376(9) 0.4235(15) 0.0556(9) 0.127(10) Uani 1 1 d D U . . .
H47I H 0.128479 0.414517 0.070922 0.153 Uiso 1 1 calc R U . . .
C48F C 0.1591(11) 0.463(2) 0.0624(10) 0.137(13) Uani 1 1 d D U . . .
H48N H 0.149629 0.494202 0.064310 0.164 Uiso 1 1 calc R U . . .
H48O H 0.171034 0.456054 0.078780 0.164 Uiso 1 1 calc R U . . .
O40F O 0.1755(13) 0.466(2) 0.0415(11) 0.173(18) Uani 1 1 d D U . . .
H40L H 0.164997 0.470383 0.027596 0.259 Uiso 1 1 calc R U . . .
O39F O 0.1183(8) 0.4443(13) 0.0363(9) 0.127(10) Uani 1 1 d D U . . .
O1G O 0.0399(7) 0.1289(14) 0.3872(8) 0.082(8) Uani 1 1 d D U . . .
C1G C 0.0667(9) 0.1528(13) 0.3941(6) 0.089(8) Uani 1 1 d D U . . .
H1G H 0.080769 0.128186 0.400752 0.106 Uiso 1 1 calc R U . . .
C2G C 0.0744(9) 0.1724(14) 0.3703(7) 0.085(9) Uani 1 1 d D U . . .
H2G H 0.058321 0.192019 0.362279 0.102 Uiso 1 1 calc R U . . .
O2G O 0.0810(9) 0.1416(13) 0.3514(7) 0.096(11) Uani 1 1 d D U . . .
H2G1 H 0.068151 0.121623 0.347874 0.144 Uiso 1 1 calc R U . . .
C3G C 0.0994(8) 0.2067(12) 0.3764(6) 0.088(9) Uani 1 1 d D U . . .
H3G H 0.116526 0.188698 0.383333 0.106 Uiso 1 1 calc R U . . .
O3G O 0.1020(9) 0.2263(14) 0.3527(6) 0.086(11) Uani 1 1 d D U . . .
H3G1 H 0.103779 0.256045 0.354245 0.129 Uiso 1 1 calc R U . . .
C4G C 0.0918(8) 0.2403(9) 0.3956(6) 0.087(8) Uani 1 1 d D U . . .
H4G H 0.108644 0.260864 0.399785 0.105 Uiso 1 1 calc R U . . .
C5G C 0.0638(8) 0.1900(13) 0.4170(6) 0.095(9) Uani 1 1 d D U . . .
H5G H 0.047675 0.211883 0.412216 0.114 Uiso 1 1 calc R U . . .
C6G C 0.0627(13) 0.1678(17) 0.4438(8) 0.104(12) Uani 1 1 d D U . . .
H6G1 H 0.053498 0.136272 0.441532 0.125 Uiso 1 1 calc R U . . .
H6G2 H 0.081923 0.162536 0.452328 0.125 Uiso 1 1 calc R U . . .
O5G O 0.0484(12) 0.1961(18) 0.4601(9) 0.159(17) Uani 1 1 d D U . . .
H5G1 H 0.040530 0.218924 0.451569 0.238 Uiso 1 1 calc R U . . .
O4G O 0.0888(7) 0.2154(10) 0.4206(5) 0.090(8) Uani 1 1 d D U . . .
O6G O 0.0703(8) 0.2721(10) 0.3898(6) 0.084(8) Uani 1 1 d D U . . .
C7G C 0.0737(9) 0.3229(10) 0.3961(6) 0.083(8) Uani 1 1 d D U . . .
H7G H 0.093492 0.330288 0.402975 0.100 Uiso 1 1 calc R U . . .
C8G C 0.0652(9) 0.3481(11) 0.3718(7) 0.077(8) Uani 1 1 d D U . . .
H8G H 0.047297 0.333360 0.363831 0.093 Uiso 1 1 calc R U . . .
O7G O 0.0837(9) 0.3442(14) 0.3538(7) 0.085(11) Uani 1 1 d D U . . .
H7G1 H 0.077219 0.358414 0.340192 0.128 Uiso 1 1 calc R U . . .
C9G C 0.0593(10) 0.4013(12) 0.3759(6) 0.077(8) Uani 1 1 d D U . . .
H9G H 0.077300 0.416619 0.383165 0.092 Uiso 1 1 calc R U . . .
O8G O 0.0514(8) 0.4204(12) 0.3520(6) 0.068(9) Uani 1 1 d D U . . .
H8G1 H 0.035161 0.431101 0.351213 0.102 Uiso 1 1 calc R U . . .
C10G C 0.0409(9) 0.4029(17) 0.3961(7) 0.080(8) Uani 1 1 d D U . . .
H10O H 0.040221 0.437473 0.400521 0.096 Uiso 1 1 calc R U . . .
C11G C 0.0527(9) 0.3315(13) 0.4191(6) 0.089(8) Uani 1 1 d D U . . .
H11I H 0.032848 0.322839 0.413387 0.106 Uiso 1 1 calc R U . . .
C12G C 0.0644(10) 0.3115(18) 0.4457(8) 0.097(11) Uani 1 1 d D U . . .
H12X H 0.051123 0.318553 0.457979 0.117 Uiso 1 1 calc R U . . .
H12Y H 0.065810 0.276354 0.444357 0.117 Uiso 1 1 calc R U . . .
O10G O 0.0909(10) 0.330(2) 0.4558(10) 0.118(14) Uani 1 1 d D U . . .
H10P H 0.089730 0.359695 0.457661 0.178 Uiso 1 1 calc R U . . .
O9G O 0.0575(8) 0.3802(12) 0.4204(6) 0.084(8) Uani 1 1 d D U . . .
O11G O 0.0151(7) 0.3917(14) 0.3897(7) 0.073(7) Uani 1 1 d D U . . .
C13G C -0.0084(7) 0.4199(16) 0.3961(6) 0.079(8) Uani 1 1 d D U . . .
H13R H -0.001850 0.451279 0.403766 0.095 Uiso 1 1 calc R U . . .
C14G C -0.0262(6) 0.4269(17) 0.3716(7) 0.078(8) Uani 1 1 d D U . . .
H14I H -0.029513 0.394185 0.364239 0.094 Uiso 1 1 calc R U . . .
O12G O -0.0152(8) 0.4526(15) 0.3529(7) 0.080(10) Uani 1 1 d D U . . .
H12Z H -0.026830 0.453696 0.339485 0.120 Uiso 1 1 calc R U . . .
C15G C -0.0553(6) 0.4457(16) 0.3752(6) 0.081(8) Uani 1 1 d D U . . .
H15O H -0.053843 0.479157 0.381869 0.097 Uiso 1 1 calc R U . . .
O13G O -0.0698(7) 0.4450(14) 0.3508(6) 0.071(10) Uani 1 1 d D U . . .
H13S H -0.083319 0.426138 0.350443 0.107 Uiso 1 1 calc R U . . .
C16G C -0.0645(7) 0.4136(19) 0.3950(7) 0.082(8) Uani 1 1 d D U . . .
H16I H -0.081726 0.429154 0.399443 0.098 Uiso 1 1 calc R U . . .
C17G C -0.0224(7) 0.3860(14) 0.4181(6) 0.084(9) Uani 1 1 d D U . . .
H17R H -0.028878 0.353566 0.412036 0.101 Uiso 1 1 calc R U . . .
C18G C -0.0054(11) 0.3879(16) 0.4455(8) 0.089(11) Uani 1 1 d D U . . .
H18X H -0.016090 0.372813 0.458113 0.107 Uiso 1 1 calc R U . . .
H18Y H 0.012231 0.370162 0.445548 0.107 Uiso 1 1 calc R U . . .
O15G O 0.0004(10) 0.4369(17) 0.4525(9) 0.102(13) Uani 1 1 d D U . . .
H15P H -0.014571 0.451346 0.453354 0.153 Uiso 1 1 calc R U . . .
O14G O -0.0434(7) 0.4197(14) 0.4197(6) 0.085(8) Uani 1 1 d D U . . .
O16G O -0.0732(7) 0.3690(14) 0.3868(7) 0.077(8) Uani 1 1 d D U . . .
C19G C -0.0977(8) 0.3458(14) 0.3948(6) 0.084(9) Uani 1 1 d D U . . .
H19G H -0.109512 0.369497 0.402600 0.101 Uiso 1 1 calc R U . . .
C20G C -0.1125(8) 0.3259(13) 0.3713(7) 0.086(9) Uani 1 1 d D U . . .
H20M H -0.098155 0.305482 0.364705 0.103 Uiso 1 1 calc R U . . .
O17G O -0.1208(9) 0.3566(14) 0.3506(7) 0.096(12) Uani 1 1 d D U . . .
H17S H -0.119092 0.385025 0.355652 0.144 Uiso 1 1 calc R U . . .
C21G C -0.1352(6) 0.2897(9) 0.3762(6) 0.088(9) Uani 1 1 d D U . . .
H21G H -0.150476 0.307105 0.383159 0.106 Uiso 1 1 calc R U . . .
O18G O -0.1459(7) 0.2674(11) 0.3537(6) 0.072(10) Uani 1 1 d D U . . .
H18Z H -0.133034 0.254207 0.347106 0.109 Uiso 1 1 calc R U . . .
C22G C -0.1210(10) 0.2573(10) 0.3970(6) 0.087(8) Uani 1 1 d D U . . .
H22P H -0.136013 0.236955 0.402501 0.105 Uiso 1 1 calc R U . . .
C23G C -0.0839(8) 0.3056(14) 0.4174(6) 0.098(9) Uani 1 1 d D U . . .
H23P H -0.070877 0.281597 0.411555 0.117 Uiso 1 1 calc R U . . .
C24G C -0.0747(9) 0.329(2) 0.4443(8) 0.103(11) Uani 1 1 d D U . . .
H24M H -0.068723 0.303658 0.457170 0.124 Uiso 1 1 calc R U . . .
H24N H -0.058853 0.350505 0.443300 0.124 Uiso 1 1 calc R U . . .
O20G O -0.0977(11) 0.3548(19) 0.4519(9) 0.117(14) Uani 1 1 d D U . . .
H20N H -0.110377 0.335629 0.454477 0.175 Uiso 1 1 calc R U . . .
O19G O -0.1106(8) 0.2888(13) 0.4205(6) 0.090(8) Uani 1 1 d D U . . .
O21G O -0.1022(8) 0.2262(10) 0.3888(8) 0.086(8) Uani 1 1 d D U . . .
C25G C -0.1009(9) 0.1761(10) 0.3970(6) 0.090(8) Uani 1 1 d D U . . .
H25M H -0.118299 0.169129 0.404566 0.108 Uiso 1 1 calc R U . . .
C26G C -0.1024(9) 0.1494(12) 0.3729(7) 0.084(9) Uani 1 1 d D U . . .
H26G H -0.086631 0.161364 0.364202 0.101 Uiso 1 1 calc R U . . .
O22G O -0.1261(8) 0.1544(14) 0.3548(7) 0.087(11) Uani 1 1 d D U . . .
H22Q H -0.137158 0.173398 0.360447 0.130 Uiso 1 1 calc R U . . .
C27G C -0.0968(9) 0.0959(12) 0.3775(7) 0.086(9) Uani 1 1 d D U . . .
H27P H -0.112825 0.082351 0.385224 0.103 Uiso 1 1 calc R U . . .
O23G O -0.0973(7) 0.0768(13) 0.3534(6) 0.080(10) Uani 1 1 d D U . . .
H23Q H -0.082150 0.063021 0.352366 0.119 Uiso 1 1 calc R U . . .
C28G C -0.0720(7) 0.0926(14) 0.3971(7) 0.086(8) Uani 1 1 d D U . . .
H28P H -0.069960 0.058165 0.401945 0.103 Uiso 1 1 calc R U . . .
C29G C -0.0754(8) 0.1692(12) 0.4196(6) 0.091(9) Uani 1 1 d D U . . .
H29G H -0.057372 0.177564 0.413556 0.110 Uiso 1 1 calc R U . . .
C30G C -0.0766(11) 0.188(2) 0.4470(8) 0.099(11) Uani 1 1 d D U . . .
H30S H -0.060588 0.175434 0.458708 0.119 Uiso 1 1 calc R U . . .
H30T H -0.074810 0.223399 0.446844 0.119 Uiso 1 1 calc R U . . .
O25G O -0.1016(11) 0.176(2) 0.4571(10) 0.128(15) Uani 1 1 d D U . . .
H25N H -0.103238 0.146256 0.457495 0.192 Uiso 1 1 calc R U . . .
O24G O -0.0785(8) 0.1193(12) 0.4214(6) 0.089(8) Uani 1 1 d D U . . .
O26G O -0.0483(7) 0.1054(14) 0.3890(7) 0.080(8) Uani 1 1 d D U . . .
C31G C -0.0231(5) 0.0766(14) 0.3970(6) 0.088(8) Uani 1 1 d D U . . .
H31G H -0.027172 0.044964 0.404495 0.106 Uiso 1 1 calc R U . . .
C32G C -0.0102(6) 0.0727(17) 0.3726(6) 0.086(9) Uani 1 1 d D U . . .
H32P H -0.008729 0.105933 0.366037 0.103 Uiso 1 1 calc R U . . .
O27G O -0.0245(6) 0.0466(16) 0.3524(7) 0.095(11) Uani 1 1 d D U . . .
H27Q H -0.040936 0.056392 0.349389 0.142 Uiso 1 1 calc R U . . .
C33G C 0.0194(6) 0.0524(17) 0.3764(7) 0.086(9) Uani 1 1 d D U . . .
H33P H 0.018768 0.019190 0.383292 0.104 Uiso 1 1 calc R U . . .
O28G O 0.0258(7) 0.0501(13) 0.3517(6) 0.083(11) Uani 1 1 d D U . . .
H28Q H 0.039931 0.066760 0.350560 0.124 Uiso 1 1 calc R U . . .
C34G C 0.0360(6) 0.0820(19) 0.3961(7) 0.088(8) Uani 1 1 d D U . . .
H34G H 0.054530 0.066749 0.400973 0.106 Uiso 1 1 calc R U . . .
C35G C -0.0039(7) 0.1101(13) 0.4168(5) 0.091(9) Uani 1 1 d D U . . .
H35M H -0.001218 0.143246 0.410595 0.110 Uiso 1 1 calc R U . . .
C36G C -0.0149(11) 0.1066(17) 0.4429(6) 0.105(11) Uani 1 1 d D U . . .
H36M H -0.002978 0.125630 0.456002 0.127 Uiso 1 1 calc R U . . .
H36N H -0.033985 0.119691 0.441323 0.127 Uiso 1 1 calc R U . . .
O30G O -0.0151(12) 0.0579(18) 0.4511(9) 0.122(15) Uani 1 1 d D U . . .
H30U H 0.001198 0.049389 0.456672 0.183 Uiso 1 1 calc R U . . .
O29G O 0.0200(7) 0.0817(14) 0.4198(6) 0.091(8) Uani 1 1 d D U . . .
Na1 Na 0.3005(4) 0.2475(8) 0.2808(4) 0.049(4) Uani 1 1 d . U . . .
Na2 Na 0.3815(6) 0.2404(12) 0.2994(6) 0.118(8) Uani 1 1 d D U . . .
Na3 Na 0.2581(7) 0.1306(12) 0.3000(6) 0.114(8) Uani 1 1 d D U . . .
Na4 Na 0.2702(7) 0.3687(12) 0.3031(6) 0.106(8) Uani 1 1 d . U . . .
Na5 Na 0.1734(7) 0.2070(12) 0.4083(6) 0.122(11) Uani 1 1 d D U . . .
Na6 Na 0.6349(5) 0.2507(9) 0.2800(4) 0.065(6) Uani 1 1 d . U . . .
Na7 Na 0.3324(8) 0.2464(16) 0.4995(7) 0.140(11) Uani 1 1 d . U . . .
O1W O 0.3264(10) 0.2139(17) 0.2543(9) 0.095(10) Uani 1 1 d . U . . .
O2W O 0.2991(11) 0.3119(18) 0.2552(10) 0.098(10) Uani 1 1 d . U . . .
O3W O 0.2656(10) 0.2158(17) 0.2556(9) 0.095(10) Uani 1 1 d . U . . .
O4W O 0.3389(7) 0.2836(15) 0.3024(9) 0.088(8) Uani 1 1 d D U . . .
O5W O 0.3084(10) 0.1823(16) 0.3036(9) 0.081(8) Uani 1 1 d . U . . .
O6W O 0.2702(10) 0.2751(16) 0.3020(9) 0.084(8) Uani 1 1 d . U . . .
O7W O 0.4033(9) 0.2035(14) 0.2653(8) 0.100(13) Uani 1 1 d D U . . .
O8W O 0.2260(10) 0.112(2) 0.2620(8) 0.122(15) Uani 1 1 d D U . . .
O9W O 0.1571(8) 0.2488(15) 0.3683(6) 0.077(11) Uani 1 1 d D U . . .
O10W O 0.1447(10) 0.1539(17) 0.4300(10) 0.113(15) Uani 1 1 d D U . . .
O11W O 0.6015(12) 0.2830(19) 0.2572(11) 0.111(12) Uani 1 1 d . U . . .
O12W O 0.6076(10) 0.2077(18) 0.3035(9) 0.095(11) Uani 1 1 d . U . . .
O13W O 0.6326(11) 0.3130(18) 0.3042(10) 0.097(11) Uani 1 1 d . U . . .
O14W O 0.6716(10) 0.2206(17) 0.3023(9) 0.090(11) Uani 1 1 d . U . . .
O15W O 0.6641(11) 0.2785(18) 0.2553(10) 0.097(11) Uani 1 1 d . U . . .
O16W O 0.6297(11) 0.1873(19) 0.2539(10) 0.103(12) Uani 1 1 d . U . . .
O19W O 0.3133(14) 0.191(2) 0.4992(13) 0.145(15) Uani 1 1 d . U . . .
O17W O 0.3261(13) 0.252(3) 0.4646(12) 0.144(14) Uani 1 1 d . U . . .
O18W O 0.3144(14) 0.308(2) 0.5010(13) 0.140(15) Uani 1 1 d . U . . .
O20W O 0.3375(15) 0.232(3) 0.5362(13) 0.156(15) Uani 1 1 d . U . . .
O21W O 0.3718(13) 0.255(2) 0.5028(11) 0.137(14) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 S4 2.265(12) . ?
Au1 S1 2.292(12) . ?
Au1 Au2 2.962(3) . ?
Au1 Au3 3.119(2) . ?
Au2 S5 2.295(13) . ?
Au2 S2 2.302(11) . ?
Au2 Au3 2.970(3) . ?
Au3 S3 2.266(13) . ?
Au3 S6 2.284(12) . ?
S1 C1 1.88(5) . ?
S1 Co1 2.211(14) . ?
S2 C6 1.87(5) . ?
S2 Co1 2.253(13) . ?
S3 C11 1.94(5) . ?
S3 Co1 2.266(14) . ?
Co1 N3 1.97(3) . ?
Co1 N1 2.02(4) . ?
Co1 N2 2.04(4) . ?
C1 C2 1.42(6) . ?
C1 C3 1.44(7) . ?
C1 C4 1.58(7) . ?
C4 N1 1.49(6) . ?
C4 C5 1.62(7) . ?
C5 O2 1.27(6) . ?
C5 O1 1.28(6) . ?
N2 C9 1.39(3) . ?
N3 C14 1.50(5) . ?
C6 C7 1.47(6) . ?
C6 C9 1.52(6) . ?
C6 C8 1.62(6) . ?
C9 C10 1.58(7) . ?
C10 O3 1.19(5) . ?
C10 O4 1.23(5) . ?
C11 C13 1.42(6) . ?
C11 C14 1.58(7) . ?
C11 C12 1.58(6) . ?
C14 C15 1.60(7) . ?
C15 O6 1.14(5) . ?
C15 O5 1.23(5) . ?
S4 C16 1.90(5) . ?
S4 Co2 2.253(13) . ?
S5 C21 1.88(5) . ?
S5 Co2 2.279(14) . ?
S6 C26 1.76(5) . ?
S6 Co2 2.238(14) . ?
Co2 N4 1.89(4) . ?
Co2 N5 2.00(4) . ?
Co2 N6 2.04(4) . ?
C16 C18 1.52(7) . ?
C16 C17 1.58(6) . ?
C16 C19 1.65(7) . ?
C19 N4 1.45(6) . ?
C19 C20 1.62(7) . ?
C20 O7 1.24(6) . ?
C20 O8 1.27(6) . ?
O8 Na2 2.77(5) . ?
N5 C24 1.43(6) . ?
N6 C29 1.43(6) . ?
C21 C22 1.43(6) . ?
C21 C24 1.52(7) . ?
C21 C23 1.63(6) . ?
C24 C25 1.54(7) . ?
C25 O10 1.10(6) . ?
C25 O9 1.28(6) . ?
C26 C28 1.526(16) . ?
C26 C27 1.55(7) . ?
C26 C29 1.59(7) . ?
C29 C30 1.550(16) . ?
C30 O11 1.15(5) . ?
C30 O12 1.21(6) . ?
Au4 S7 2.288(12) . ?
Au4 S10 2.312(13) . ?
Au4 Au5 2.972(3) . ?
Au4 Au6 3.134(2) . ?
Au5 S11 2.297(13) . ?
Au5 S8 2.311(13) . ?
Au5 Au6 2.967(3) . ?
Au6 S12 2.288(12) . ?
Au6 S9 2.306(12) . ?
S7 C31 1.91(5) . ?
S7 Co3 2.268(14) . ?
S8 C36 1.87(5) . ?
S8 Co3 2.277(15) . ?
S9 C41 1.75(6) . ?
S9 Co3 2.265(13) . ?
S10 C46 1.82(5) . ?
S10 Co4 2.247(14) . ?
S11 C51 1.84(5) . ?
S11 Co4 2.270(15) . ?
S12 C56 1.89(5) . ?
S12 Co4 2.226(14) . ?
Co3 N8 1.96(4) . ?
Co3 N7 2.07(4) . ?
Co3 N9 2.08(4) . ?
N7 C34 1.44(6) . ?
N8 C44 1.48(6) . ?
N9 C39 1.42(3) . ?
C31 C32 1.53(6) . ?
C31 C34 1.53(6) . ?
C31 C33 1.54(6) . ?
C34 C35 1.61(7) . ?
C35 O14 1.17(6) . ?
C35 O13 1.24(6) . ?
C36 C39 1.42(6) . ?
C36 C37 1.47(7) . ?
C36 C38 1.74(7) . ?
C39 C40 1.49(7) . ?
C40 O15 1.19(5) . ?
C40 O16 1.29(6) . ?
C41 C43 1.49(7) . ?
C41 C42 1.50(7) . ?
C41 C44 1.70(7) . ?
C44 C45 1.57(7) . ?
C45 O17 1.22(6) . ?
C45 O18 1.37(6) . ?
O19 C50 1.29(6) . ?
O20 C50 1.28(6) . ?
O20 Na3 2.80(5) . ?
Co4 N11 1.87(4) . ?
Co4 N10 2.01(4) . ?
Co4 N12 2.04(4) . ?
N10 C49 1.43(6) . ?
N11 C54 1.43(6) . ?
N12 C59 1.36(6) . ?
C46 C49 1.52(7) . ?
C46 C47 1.57(7) . ?
C46 C48 1.66(7) . ?
C49 C50 1.59(8) . ?
C51 C54 1.48(7) . ?
C51 C53 1.56(6) . ?
C51 C52 1.61(6) . ?
C54 C55 1.69(8) . ?
C55 O22 1.20(6) . ?
C55 O21 1.24(6) . ?
O22 Na5 2.90(5) . ?
C56 C58 1.53(6) . ?
C56 C57 1.56(6) . ?
C56 C59 1.61(6) . ?
C59 C60 1.51(7) . ?
C60 O24 1.24(6) . ?
C60 O23 1.26(6) . ?
Au7 S13 2.279(12) . ?
Au7 S16 2.288(12) . ?
Au7 Au8 2.962(3) . ?
Au7 Au9 3.100(2) . ?
Au8 S14 2.273(13) . ?
Au8 S17 2.304(13) . ?
Au8 Au9 2.970(3) . ?
Au9 S18 2.275(13) . ?
Au9 S15 2.289(13) . ?
S13 C61 1.83(5) . ?
S13 Co5 2.265(14) . ?
S14 C66 1.75(5) . ?
S14 Co5 2.283(15) . ?
S15 C71 1.92(5) . ?
S15 Co5 2.264(14) . ?
S16 C76 1.90(5) . ?
S16 Co6 2.264(14) . ?
S17 C81 1.78(5) . ?
S17 Co6 2.260(15) . ?
S18 C86 1.87(5) . ?
S18 Co6 2.268(14) . ?
Co5 N13 1.95(4) . ?
Co5 N14 1.97(4) . ?
Co5 N15 1.98(4) . ?
N13 C64 1.51(6) . ?
N14 C69 1.46(6) . ?
N15 C74 1.63(6) . ?
C61 C62 1.60(7) . ?
C61 C63 1.61(7) . ?
C61 C64 1.62(7) . ?
C64 C65 1.62(7) . ?
C65 O25 1.23(6) . ?
C65 O26 1.25(6) . ?
C66 C67 1.40(6) . ?
C66 C69 1.43(6) . ?
C66 C68 1.95(7) . ?
C69 C70 1.57(7) . ?
C70 O28 1.20(6) . ?
C70 O27 1.27(6) . ?
C71 C73 1.40(6) . ?
C71 C74 1.50(6) . ?
C71 C72 1.51(6) . ?
C74 C75 1.67(7) . ?
C75 O30 1.10(5) . ?
C75 O29 1.22(5) . ?
Co6 N17 1.92(4) . ?
Co6 N18 1.94(4) . ?
Co6 N16 1.97(4) . ?
N16 C79 1.38(6) . ?
N17 C84 1.51(6) . ?
N18 C89 1.61(6) . ?
C76 C77 1.39(7) . ?
C76 C78 1.50(7) . ?
C76 C79 1.59(7) . ?
C79 C80 1.547(16) . ?
C80 O32 1.22(5) . ?
C80 O31 1.25(5) . ?
C81 C84 1.45(7) . ?
C81 C83 1.53(7) . ?
C81 C82 1.68(7) . ?
C84 C85 1.77(7) . ?
C85 O33 1.17(6) . ?
C85 O34 1.24(6) . ?
C86 C87 1.52(7) . ?
C86 C89 1.55(7) . ?
C86 C88 1.57(6) . ?
C89 C90 1.46(7) . ?
C90 O36 1.26(6) . ?
C90 O35 1.30(6) . ?
O36 Na4 2.78(5) . ?
O1A C46A 1.40(5) . ?
O1A C1A 1.45(2) . ?
C1A O4A 1.41(2) . ?
C1A C2A 1.45(2) . ?
C2A O2A 1.37(2) . ?
C2A C3A 1.52(2) . ?
C3A O3A 1.37(2) . ?
C3A C4A 1.48(2) . ?
C4A O6A 1.49(5) . ?
C4A C5A 1.56(2) . ?
C5A O4A 1.41(2) . ?
C5A C6A 1.53(2) . ?
C6A O5A 1.42(2) . ?
O6A C7A 1.42(2) . ?
C7A C8A 1.45(2) . ?
C7A O9A 1.462(19) . ?
C8A O7A 1.39(2) . ?
C8A C9A 1.52(2) . ?
C9A O8A 1.36(2) . ?
C9A C10A 1.47(2) . ?
C10A O11A 1.55(6) . ?
C10A C11A 1.70(2) . ?
C11A O9A 1.39(2) . ?
C11A C12A 1.50(2) . ?
C12A O10A 1.43(2) . ?
O11A C13A 1.46(2) . ?
C13A O14A 1.42(2) . ?
C13A C14A 1.46(2) . ?
C14A O12A 1.38(2) . ?
C14A C15A 1.54(2) . ?
C15A O13A 1.36(2) . ?
C15A C16A 1.47(2) . ?
C16A O16A 1.42(7) . ?
C16A C17A 1.55(2) . ?
C17A O14A 1.40(2) . ?
C17A C18A 1.54(2) . ?
C18A O15A 1.43(2) . ?
O16A C19A 1.46(2) . ?
C19A O19A 1.41(2) . ?
C19A C20A 1.45(2) . ?
C20A O17A 1.39(2) . ?
C20A C21A 1.54(2) . ?
C21A O18A 1.38(2) . ?
C21A C22A 1.48(2) . ?
C22A O21A 1.34(6) . ?
C22A C23A 1.54(2) . ?
C23A O19A 1.40(2) . ?
C23A C24A 1.53(2) . ?
C24A O20A 1.43(2) . ?
O21A C25A 1.45(2) . ?
C25A O24A 1.42(2) . ?
C25A C26A 1.44(2) . ?
C26A O22A 1.38(2) . ?
C26A C27A 1.52(2) . ?
C27A O23A 1.37(2) . ?
C27A C28A 1.48(2) . ?
C28A O26A 1.33(6) . ?
C28A C29A 1.56(2) . ?
C29A O24A 1.41(2) . ?
C29A C30A 1.55(2) . ?
C30A O25A 1.44(2) . ?
O26A C31A 1.46(2) . ?
C31A O29A 1.40(2) . ?
C31A C32A 1.47(2) . ?
C32A O27A 1.41(2) . ?
C32A C33A 1.53(2) . ?
C33A O28A 1.37(2) . ?
C33A C34A 1.49(2) . ?
C34A C35A 1.55(2) . ?
C34A O31A 1.55(6) . ?
C35A O29A 1.39(2) . ?
C35A C36A 1.53(2) . ?
C36A O30A 1.42(2) . ?
O31A C37A 1.46(2) . ?
C37A O34A 1.41(2) . ?
C37A C38A 1.46(2) . ?
C38A O32A 1.40(2) . ?
C38A C39A 1.54(2) . ?
C39A O33A 1.37(2) . ?
C39A C40A 1.48(2) . ?
C40A O36A 1.51(5) . ?
C40A C41A 1.56(2) . ?
C41A O34A 1.40(2) . ?
C41A C42A 1.52(2) . ?
C42A O35A 1.42(2) . ?
O36A C43A 1.45(2) . ?
C43A O39A 1.40(2) . ?
C43A C44A 1.46(2) . ?
C44A O37A 1.40(2) . ?
C44A C45A 1.54(2) . ?
C45A O38A 1.38(2) . ?
C45A C46A 1.49(2) . ?
C46A C47A 1.55(2) . ?
C47A O39A 1.40(2) . ?
C47A C48A 1.55(2) . ?
C48A O40A 1.44(2) . ?
O1B C1B 1.45(2) . ?
O1B C46B 1.47(5) . ?
C1B O4B 1.41(2) . ?
C1B C2B 1.47(2) . ?
C2B O2B 1.40(2) . ?
C2B C3B 1.53(2) . ?
C3B O3B 1.37(2) . ?
C3B C4B 1.49(2) . ?
C4B O6B 1.38(5) . ?
C4B C5B 1.55(2) . ?
C5B O4B 1.40(2) . ?
C5B C6B 1.52(2) . ?
C6B O5B 1.41(2) . ?
O6B C7B 1.45(2) . ?
C7B O9B 1.42(2) . ?
C7B C8B 1.46(2) . ?
C8B O7B 1.40(2) . ?
C8B C9B 1.53(2) . ?
C9B O8B 1.36(2) . ?
C9B C10B 1.48(2) . ?
C10B O11B 1.42(5) . ?
C10B C11B 1.56(2) . ?
C11B O9B 1.41(2) . ?
C11B C12B 1.55(2) . ?
C12B O10B 1.43(2) . ?
O11B C13B 1.46(2) . ?
C13B O14B 1.41(2) . ?
C13B C14B 1.45(2) . ?
C14B O12B 1.39(2) . ?
C14B C15B 1.53(2) . ?
C15B O13B 1.37(2) . ?
C15B C16B 1.48(2) . ?
C16B O16B 1.52(6) . ?
C16B C17B 1.55(2) . ?
C17B O14B 1.40(2) . ?
C17B C18B 1.55(2) . ?
C18B O15B 1.43(2) . ?
O16B C19B 1.45(2) . ?
C19B O19B 1.41(2) . ?
C19B C20B 1.44(2) . ?
C20B O17B 1.38(2) . ?
C20B C21B 1.53(2) . ?
C21B O18B 1.38(2) . ?
C21B C22B 1.47(2) . ?
C22B O21B 1.38(6) . ?
C22B C23B 1.54(2) . ?
C23B O19B 1.39(2) . ?
C23B C24B 1.54(2) . ?
C24B O20B 1.43(2) . ?
O21B C25B 1.46(2) . ?
C25B O24B 1.41(2) . ?
C25B C26B 1.44(2) . ?
C26B O22B 1.39(2) . ?
C26B C27B 1.54(2) . ?
C27B O23B 1.37(2) . ?
C27B C28B 1.47(2) . ?
C28B C29B 1.55(2) . ?
C28B O26B 1.59(8) . ?
C29B O24B 1.39(2) . ?
C29B C30B 1.54(2) . ?
C30B O25B 1.44(2) . ?
O26B C31B 1.45(2) . ?
C31B O29B 1.41(2) . ?
C31B C32B 1.44(2) . ?
C32B O27B 1.38(2) . ?
C32B C33B 1.54(2) . ?
C33B O28B 1.37(2) . ?
C33B C34B 1.47(2) . ?
C34B O31B 1.43(7) . ?
C34B C35B 1.55(2) . ?
C35B O29B 1.40(2) . ?
C35B C36B 1.53(2) . ?
C36B O30B 1.42(2) . ?
O31B C37B 1.46(2) . ?
C37B O34B 1.41(2) . ?
C37B C38B 1.44(2) . ?
C38B O32B 1.39(2) . ?
C38B C39B 1.54(2) . ?
C39B O33B 1.37(2) . ?
C39B C40B 1.47(2) . ?
C40B O36B 1.53(7) . ?
C40B C41B 1.56(2) . ?
C41B O34B 1.40(2) . ?
C41B C42B 1.55(2) . ?
C42B O35B 1.44(2) . ?
O36B C43B 1.45(2) . ?
C43B O39B 1.41(2) . ?
C43B C44B 1.46(2) . ?
C44B O37B 1.38(2) . ?
C44B C45B 1.52(2) . ?
C45B O38B 1.38(2) . ?
C45B C46B 1.49(2) . ?
C46B C47B 1.54(2) . ?
C47B O39B 1.41(2) . ?
C47B C48B 1.53(2) . ?
C48B O40B 1.42(2) . ?
O1C C46C 1.39(5) . ?
O1C C1C 1.45(2) . ?
C1C O4C 1.41(2) . ?
C1C C2C 1.44(2) . ?
C2C O2C 1.37(2) . ?
C2C C3C 1.53(2) . ?
C3C O3C 1.37(2) . ?
C3C C4C 1.48(2) . ?
C4C O6C 1.40(4) . ?
C4C C5C 1.54(2) . ?
C5C O4C 1.40(2) . ?
C5C C6C 1.54(2) . ?
C6C O5C 1.43(2) . ?
O6C C7C 1.45(2) . ?
C7C O9C 1.40(2) . ?
C7C C8C 1.44(2) . ?
C8C O7C 1.39(2) . ?
C8C C9C 1.54(2) . ?
C9C O8C 1.38(2) . ?
C9C C10C 1.47(2) . ?
C10C O11C 1.38(5) . ?
C10C C11C 1.56(2) . ?
C11C O9C 1.40(2) . ?
C11C C12C 1.53(2) . ?
C12C O10C 1.43(2) . ?
O11C C13C 1.47(2) . ?
C13C O14C 1.41(2) . ?
C13C C14C 1.44(2) . ?
C14C O12C 1.37(2) . ?
C14C C15C 1.54(2) . ?
C15C O13C 1.37(2) . ?
C15C C16C 1.48(2) . ?
C16C O16C 1.48(7) . ?
C16C C17C 1.55(2) . ?
C17C O14C 1.40(2) . ?
C17C C18C 1.54(2) . ?
C18C O15C 1.43(2) . ?
O16C C19C 1.46(2) . ?
C19C O19C 1.41(2) . ?
C19C C20C 1.44(2) . ?
C20C O17C 1.38(2) . ?
C20C C21C 1.54(2) . ?
C21C O18C 1.38(2) . ?
C21C C22C 1.48(2) . ?
C22C O21C 1.46(7) . ?
C22C C23C 1.55(2) . ?
C23C O19C 1.39(2) . ?
C23C C24C 1.53(2) . ?
C24C O20C 1.42(2) . ?
O21C C25C 1.45(2) . ?
C25C O24C 1.41(2) . ?
C25C C26C 1.45(2) . ?
C26C O22C 1.40(2) . ?
C26C C27C 1.54(2) . ?
C27C O23C 1.37(2) . ?
C27C C28C 1.46(2) . ?
C28C O26C 1.43(7) . ?
C28C C29C 1.57(2) . ?
C29C O24C 1.41(2) . ?
C29C C30C 1.56(2) . ?
C30C O25C 1.44(2) . ?
O26C C31C 1.46(2) . ?
C31C O29C 1.40(2) . ?
C31C C32C 1.45(2) . ?
C32C O27C 1.38(2) . ?
C32C C33C 1.52(2) . ?
C33C O28C 1.37(2) . ?
C33C C34C 1.47(2) . ?
C34C O31C 1.46(6) . ?
C34C C35C 1.54(2) . ?
C35C O29C 1.40(2) . ?
C35C C36C 1.53(2) . ?
C36C O30C 1.42(2) . ?
O31C C37C 1.46(2) . ?
C37C O34C 1.40(2) . ?
C37C C38C 1.46(2) . ?
C38C O32C 1.39(2) . ?
C38C C39C 1.53(2) . ?
C39C O33C 1.37(2) . ?
C39C C40C 1.49(2) . ?
C40C O36C 1.47(5) . ?
C40C C41C 1.54(2) . ?
C41C O34C 1.40(2) . ?
C41C C42C 1.53(2) . ?
C42C O35C 1.41(2) . ?
O36C C43C 1.45(2) . ?
C43C O39C 1.41(2) . ?
C43C C44C 1.46(2) . ?
C44C O37C 1.41(2) . ?
C44C C45C 1.54(2) . ?
C45C O38C 1.36(2) . ?
C45C C46C 1.48(2) . ?
C46C C47C 1.54(2) . ?
C47C O39C 1.41(2) . ?
C47C C48C 1.54(2) . ?
C48C O40C 1.45(2) . ?
O1D C1D 1.46(2) . ?
O1D C46D 1.53(5) . ?
C1D O4D 1.41(2) . ?
C1D C2D 1.46(2) . ?
C2D O2D 1.39(2) . ?
C2D C3D 1.53(2) . ?
C3D O3D 1.37(2) . ?
C3D C4D 1.49(2) . ?
C4D O6D 1.41(5) . ?
C4D C5D 1.55(2) . ?
C5D O4D 1.40(2) . ?
C5D C6D 1.53(2) . ?
C6D O5D 1.42(2) . ?
O6D C7D 1.44(2) . ?
C7D O9D 1.40(2) . ?
C7D C8D 1.46(2) . ?
C8D O7D 1.40(2) . ?
C8D C9D 1.53(2) . ?
C9D O8D 1.37(2) . ?
C9D C10D 1.48(2) . ?
C10D O11D 1.40(5) . ?
C10D C11D 1.55(2) . ?
C11D O9D 1.41(2) . ?
C11D C12D 1.54(2) . ?
C12D O10D 1.43(2) . ?
O11D C13D 1.45(2) . ?
C13D O14D 1.41(2) . ?
C13D C14D 1.45(2) . ?
C14D O12D 1.37(2) . ?
C14D C15D 1.53(2) . ?
C15D O13D 1.38(2) . ?
C15D C16D 1.49(2) . ?
C16D O16D 1.36(5) . ?
C16D C17D 1.56(2) . ?
C17D O14D 1.39(2) . ?
C17D C18D 1.55(2) . ?
C18D O15D 1.44(2) . ?
O16D C19D 1.45(2) . ?
C19D O19D 1.41(2) . ?
C19D C20D 1.44(2) . ?
C20D O17D 1.37(2) . ?
C20D C21D 1.54(2) . ?
C21D O18D 1.37(2) . ?
C21D C22D 1.48(2) . ?
C22D O21D 1.42(5) . ?
C22D C23D 1.55(2) . ?
C23D O19D 1.40(2) . ?
C23D C24D 1.54(2) . ?
C24D O20D 1.43(2) . ?
O21D C25D 1.46(2) . ?
C25D O24D 1.41(2) . ?
C25D C26D 1.45(2) . ?
C26D O22D 1.38(2) . ?
C26D C27D 1.54(2) . ?
C27D O23D 1.37(2) . ?
C27D C28D 1.48(2) . ?
C28D O26D 1.41(7) . ?
C28D C29D 1.55(2) . ?
C29D O24D 1.39(2) . ?
C29D C30D 1.54(2) . ?
C30D O25D 1.44(2) . ?
O26D C31D 1.45(2) . ?
C31D O29D 1.41(2) . ?
C31D C32D 1.43(2) . ?
C32D O27D 1.37(2) . ?
C32D C33D 1.54(2) . ?
C33D O28D 1.37(2) . ?
C33D C34D 1.48(2) . ?
C34D O31D 1.55(6) . ?
C34D C35D 1.56(2) . ?
C35D O29D 1.41(2) . ?
C35D C36D 1.54(2) . ?
C36D O30D 1.45(2) . ?
O31D C37D 1.46(2) . ?
C37D O34D 1.41(2) . ?
C37D C38D 1.45(2) . ?
C38D O32D 1.39(2) . ?
C38D C39D 1.54(2) . ?
C39D O33D 1.37(2) . ?
C39D C40D 1.48(2) . ?
C40D O36D 1.44(6) . ?
C40D C41D 1.56(2) . ?
C41D O34D 1.41(2) . ?
C41D C42D 1.54(2) . ?
C42D O35D 1.42(2) . ?
O36D C43D 1.45(2) . ?
C43D O39D 1.42(2) . ?
C43D C44D 1.44(2) . ?
C44D O37D 1.39(2) . ?
C44D C45D 1.52(2) . ?
C45D O38D 1.38(2) . ?
C45D C46D 1.48(2) . ?
C46D C47D 1.55(2) . ?
C47D O39D 1.40(2) . ?
C47D C48D 1.52(2) . ?
C48D O40D 1.42(2) . ?
O1E C1E 1.46(2) . ?
O1E C46E 1.49(5) . ?
C1E O4E 1.40(2) . ?
C1E C2E 1.45(2) . ?
C2E O2E 1.38(2) . ?
C2E C3E 1.53(2) . ?
C3E O3E 1.38(2) . ?
C3E C4E 1.48(2) . ?
C4E O6E 1.40(5) . ?
C4E C5E 1.55(2) . ?
C5E O4E 1.41(2) . ?
C5E C6E 1.54(2) . ?
C6E O5E 1.44(2) . ?
O6E C7E 1.45(2) . ?
C7E O9E 1.41(2) . ?
C7E C8E 1.45(2) . ?
C8E O7E 1.39(2) . ?
C8E C9E 1.54(2) . ?
C9E O8E 1.37(2) . ?
C9E C10E 1.47(2) . ?
C10E O11E 1.45(5) . ?
C10E C11E 1.55(2) . ?
C11E O9E 1.39(2) . ?
C11E C12E 1.53(2) . ?
C12E O10E 1.42(2) . ?
O11E C13E 1.46(2) . ?
C13E O14E 1.41(2) . ?
C13E C14E 1.44(2) . ?
C14E O12E 1.38(2) . ?
C14E C15E 1.54(2) . ?
C15E O13E 1.37(2) . ?
C15E C16E 1.47(2) . ?
C16E O16E 1.44(6) . ?
C16E C17E 1.56(2) . ?
C17E O14E 1.40(2) . ?
C17E C18E 1.54(2) . ?
C18E O15E 1.44(2) . ?
O16E C19E 1.45(2) . ?
C19E O19E 1.42(2) . ?
C19E C20E 1.44(2) . ?
C20E O17E 1.38(2) . ?
C20E C21E 1.53(2) . ?
C21E O18E 1.36(2) . ?
C21E C22E 1.48(2) . ?
C22E O21E 1.44(6) . ?
C22E C23E 1.55(2) . ?
C23E O19E 1.41(2) . ?
C23E C24E 1.53(2) . ?
C24E O20E 1.42(2) . ?
O21E C25E 1.46(2) . ?
C25E O24E 1.41(2) . ?
C25E C26E 1.44(2) . ?
C26E O22E 1.38(2) . ?
C26E C27E 1.54(2) . ?
C27E O23E 1.37(2) . ?
C27E C28E 1.49(2) . ?
C28E O26E 1.50(7) . ?
C28E C29E 1.56(2) . ?
C29E O24E 1.40(2) . ?
C29E C30E 1.53(2) . ?
C30E O25E 1.43(2) . ?
O26E C31E 1.45(2) . ?
C31E O29E 1.41(2) . ?
C31E C32E 1.45(2) . ?
C32E O27E 1.38(2) . ?
C32E C33E 1.53(2) . ?
C33E O28E 1.36(2) . ?
C33E C34E 1.48(2) . ?
C34E O31E 1.44(6) . ?
C34E C35E 1.55(2) . ?
C35E O29E 1.40(2) . ?
C35E C36E 1.53(2) . ?
C36E O30E 1.43(2) . ?
O31E C37E 1.45(2) . ?
C37E O34E 1.40(2) . ?
C37E C38E 1.45(2) . ?
C38E O32E 1.40(2) . ?
C38E C39E 1.54(2) . ?
C39E O33E 1.35(2) . ?
C39E C40E 1.47(2) . ?
C40E O36E 1.48(5) . ?
C40E C41E 1.55(2) . ?
C41E O34E 1.40(2) . ?
C41E C42E 1.52(2) . ?
C42E O35E 1.42(2) . ?
O36E C43E 1.45(2) . ?
C43E O39E 1.41(2) . ?
C43E C44E 1.45(2) . ?
C44E O37E 1.39(2) . ?
C44E C45E 1.54(2) . ?
C45E O38E 1.36(2) . ?
C45E C46E 1.47(2) . ?
C46E C47E 1.55(2) . ?
C47E O39E 1.40(2) . ?
C47E C48E 1.55(2) . ?
C48E O40E 1.44(2) . ?
O1F C1F 1.46(2) . ?
O1F C46F 1.58(7) . ?
C1F O4F 1.41(2) . ?
C1F C2F 1.46(2) . ?
C2F O2F 1.39(2) . ?
C2F C3F 1.53(2) . ?
C3F O3F 1.37(2) . ?
C3F C4F 1.49(2) . ?
C4F O6F 1.51(6) . ?
C4F C5F 1.55(2) . ?
C5F O4F 1.41(2) . ?
C5F C6F 1.53(2) . ?
C6F O5F 1.43(2) . ?
O6F C7F 1.44(2) . ?
C7F O9F 1.41(2) . ?
C7F C8F 1.46(2) . ?
C8F O7F 1.39(2) . ?
C8F C9F 1.54(2) . ?
C9F O8F 1.38(2) . ?
C9F C10F 1.49(2) . ?
C10F O11F 1.44(5) . ?
C10F C11F 1.55(2) . ?
C11F O9F 1.41(2) . ?
C11F C12F 1.52(2) . ?
C12F O10F 1.42(2) . ?
O11F C13F 1.45(2) . ?
C13F O14F 1.41(2) . ?
C13F C14F 1.46(2) . ?
C14F O12F 1.39(2) . ?
C14F C15F 1.53(2) . ?
C15F O13F 1.36(2) . ?
C15F C16F 1.46(2) . ?
C16F O16F 1.47(5) . ?
C16F C17F 1.55(2) . ?
C17F O14F 1.41(2) . ?
C17F C18F 1.54(2) . ?
C18F O15F 1.43(2) . ?
O16F C19F 1.45(2) . ?
C19F O19F 1.40(2) . ?
C19F C20F 1.44(2) . ?
C20F O17F 1.38(2) . ?
C20F C21F 1.52(2) . ?
C21F O18F 1.37(2) . ?
C21F C22F 1.48(2) . ?
C22F O21F 1.44(5) . ?
C22F C23F 1.56(2) . ?
C23F O19F 1.39(2) . ?
C23F C24F 1.54(2) . ?
C24F O20F 1.44(2) . ?
O21F C25F 1.46(2) . ?
C25F O24F 1.41(2) . ?
C25F C26F 1.45(2) . ?
C26F O22F 1.40(2) . ?
C26F C27F 1.53(2) . ?
C27F O23F 1.36(2) . ?
C27F C28F 1.48(2) . ?
C28F O26F 1.54(5) . ?
C28F C29F 1.55(2) . ?
C29F O24F 1.39(2) . ?
C29F C30F 1.53(2) . ?
C30F O25F 1.43(2) . ?
O26F C31F 1.47(2) . ?
C31F O29F 1.41(2) . ?
C31F C32F 1.45(2) . ?
C32F O27F 1.38(2) . ?
C32F C33F 1.53(2) . ?
C33F O28F 1.38(2) . ?
C33F C34F 1.49(2) . ?
C34F O31F 1.48(6) . ?
C34F C35F 1.55(2) . ?
C35F O29F 1.40(2) . ?
C35F C36F 1.53(2) . ?
C36F O30F 1.43(2) . ?
O31F C37F 1.46(2) . ?
C37F O34F 1.41(2) . ?
C37F C38F 1.45(2) . ?
C38F O32F 1.38(2) . ?
C38F C39F 1.54(2) . ?
C39F O33F 1.37(2) . ?
C39F C40F 1.47(2) . ?
C40F O36F 1.37(6) . ?
C40F C41F 1.55(2) . ?
C41F O34F 1.41(2) . ?
C41F C42F 1.55(2) . ?
C42F O35F 1.44(2) . ?
O36F C43F 1.45(2) . ?
C43F O39F 1.39(2) . ?
C43F C44F 1.44(2) . ?
C44F O37F 1.40(2) . ?
C44F C45F 1.54(2) . ?
C45F O38F 1.35(2) . ?
C45F C46F 1.48(2) . ?
C46F C47F 1.56(2) . ?
C47F O39F 1.40(2) . ?
C47F C48F 1.54(2) . ?
C48F O40F 1.43(2) . ?
O1G C34G 1.42(6) . ?
O1G C1G 1.46(2) . ?
C1G C2G 1.46(2) . ?
C1G C5G 1.609(14) . ?
C2G O2G 1.38(2) . ?
C2G C3G 1.55(2) . ?
C3G O3G 1.38(2) . ?
C3G C4G 1.46(2) . ?
C4G O6G 1.38(2) . ?
C4G O4G 1.506(16) . ?
C5G O4G 1.398(17) . ?
C5G C6G 1.539(13) . ?
C6G O5G 1.42(2) . ?
O6G C7G 1.47(2) . ?
C7G C8G 1.46(2) . ?
C7G C11G 1.70(2) . ?
C8G O7G 1.39(2) . ?
C8G C9G 1.54(2) . ?
C9G O8G 1.37(2) . ?
C9G C10G 1.47(2) . ?
C10G O11G 1.29(6) . ?
C10G O9G 1.549(18) . ?
C11G O9G 1.39(2) . ?
C11G C12G 1.53(2) . ?
C12G O10G 1.42(2) . ?
O11G C13G 1.46(2) . ?
C13G C14G 1.46(2) . ?
C13G C17G 1.71(2) . ?
C14G O12G 1.38(2) . ?
C14G C15G 1.54(2) . ?
C15G O13G 1.37(2) . ?
C15G C16G 1.48(2) . ?
C16G O16G 1.37(6) . ?
C16G O14G 1.544(18) . ?
C17G O14G 1.40(2) . ?
C17G C18G 1.55(2) . ?
C18G O15G 1.44(2) . ?
O16G C19G 1.47(2) . ?
C19G C20G 1.45(2) . ?
C19G C23G 1.70(2) . ?
C20G O17G 1.40(2) . ?
C20G C21G 1.544(13) . ?
C21G O18G 1.37(2) . ?
C21G C22G 1.511(13) . ?
C22G O21G 1.37(5) . ?
C22G O19G 1.543(18) . ?
C23G O19G 1.409(17) . ?
C23G C24G 1.56(2) . ?
C24G O20G 1.44(2) . ?
O21G C25G 1.47(2) . ?
C25G C26G 1.46(2) . ?
C25G C29G 1.602(14) . ?
C26G O22G 1.40(2) . ?
C26G C27G 1.54(2) . ?
C27G O23G 1.37(2) . ?
C27G C28G 1.47(2) . ?
C28G O26G 1.33(5) . ?
C28G O24G 1.549(17) . ?
C29G O24G 1.411(17) . ?
C29G C30G 1.54(2) . ?
C30G O25G 1.43(2) . ?
O26G C31G 1.48(2) . ?
C31G C32G 1.499(13) . ?
C31G C35G 1.602(14) . ?
C32G O27G 1.39(2) . ?
C32G C33G 1.53(2) . ?
C33G O28G 1.37(2) . ?
C33G C34G 1.47(2) . ?
C34G O29G 1.547(18) . ?
C35G O29G 1.398(17) . ?
C35G C36G 1.536(13) . ?
C36G O30G 1.43(2) . ?
Na1 O6W 2.10(5) . ?
Na1 O5W 2.19(5) . ?
Na1 O3W 2.19(5) . ?
Na1 O1W 2.20(5) . ?
Na1 O2W 2.24(5) . ?
Na1 O4W 2.28(5) . ?
Na1 Na2 3.93(4) . ?
Na1 Na4 3.94(4) . ?
Na1 Na3 4.07(4) . ?
Na2 O4W 2.424(16) . ?
Na2 O7W 2.428(16) . ?
Na3 O8W 2.414(16) . ?
Na3 O5W 2.82(6) . ?
Na4 O6W 2.63(6) . ?
Na5 O10W 2.425(16) . ?
Na5 O9W 2.432(16) . ?
Na6 O11W 2.08(6) . ?
Na6 O14W 2.17(5) . ?
Na6 O13W 2.17(5) . ?
Na6 O15W 2.18(6) . ?
Na6 O16W 2.23(6) . ?
Na6 O12W 2.27(5) . ?
Na7 O19W 1.80(8) . ?
Na7 O17W 1.82(7) . ?
Na7 O21W 1.91(7) . ?
Na7 O18W 1.93(8) . ?
Na7 O20W 1.94(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S4 Au1 S1 174.2(5) . . ?
S4 Au1 Au2 87.5(3) . . ?
S1 Au1 Au2 98.3(3) . . ?
S4 Au1 Au3 99.7(3) . . ?
S1 Au1 Au3 83.5(3) . . ?
Au2 Au1 Au3 58.40(6) . . ?
S5 Au2 S2 177.0(5) . . ?
S5 Au2 Au1 97.2(3) . . ?
S2 Au2 Au1 85.2(3) . . ?
S5 Au2 Au3 85.2(3) . . ?
S2 Au2 Au3 97.4(3) . . ?
Au1 Au2 Au3 63.44(7) . . ?
S3 Au3 S6 173.5(5) . . ?
S3 Au3 Au2 87.6(3) . . ?
S6 Au3 Au2 98.9(3) . . ?
S3 Au3 Au1 99.7(3) . . ?
S6 Au3 Au1 83.2(3) . . ?
Au2 Au3 Au1 58.16(6) . . ?
C1 S1 Co1 102.7(16) . . ?
C1 S1 Au1 106.8(16) . . ?
Co1 S1 Au1 117.0(6) . . ?
C6 S2 Co1 103.1(15) . . ?
C6 S2 Au2 110.8(15) . . ?
Co1 S2 Au2 115.6(5) . . ?
C11 S3 Au3 106.2(15) . . ?
C11 S3 Co1 99.8(15) . . ?
Au3 S3 Co1 113.7(6) . . ?
N3 Co1 N1 88.2(13) . . ?
N3 Co1 N2 94.0(13) . . ?
N1 Co1 N2 87.9(14) . . ?
N3 Co1 S1 89.7(11) . . ?
N1 Co1 S1 86.2(11) . . ?
N2 Co1 S1 173.0(11) . . ?
N3 Co1 S2 176.5(11) . . ?
N1 Co1 S2 94.2(10) . . ?
N2 Co1 S2 83.5(9) . . ?
S1 Co1 S2 93.0(5) . . ?
N3 Co1 S3 84.0(10) . . ?
N1 Co1 S3 171.4(11) . . ?
N2 Co1 S3 89.0(10) . . ?
S1 Co1 S3 97.4(5) . . ?
S2 Co1 S3 93.4(5) . . ?
C2 C1 C3 115(5) . . ?
C2 C1 C4 114(4) . . ?
C3 C1 C4 109(4) . . ?
C2 C1 S1 118(4) . . ?
C3 C1 S1 102(4) . . ?
C4 C1 S1 98(3) . . ?
N1 C4 C1 110(4) . . ?
N1 C4 C5 108(4) . . ?
C1 C4 C5 112(4) . . ?
O2 C5 O1 134(5) . . ?
O2 C5 C4 116(4) . . ?
O1 C5 C4 110(4) . . ?
C4 N1 Co1 111(3) . . ?
C9 N2 Co1 116(2) . . ?
C14 N3 Co1 118(3) . . ?
C7 C6 C9 123(4) . . ?
C7 C6 C8 109(4) . . ?
C9 C6 C8 104(4) . . ?
C7 C6 S2 108(3) . . ?
C9 C6 S2 103(3) . . ?
C8 C6 S2 111(3) . . ?
N2 C9 C6 116(4) . . ?
N2 C9 C10 119(3) . . ?
C6 C9 C10 110(4) . . ?
O3 C10 O4 129(5) . . ?
O3 C10 C9 119(4) . . ?
O4 C10 C9 111(4) . . ?
C13 C11 C14 118(4) . . ?
C13 C11 C12 114(4) . . ?
C14 C11 C12 109(4) . . ?
C13 C11 S3 111(4) . . ?
C14 C11 S3 102(3) . . ?
C12 C11 S3 101(3) . . ?
N3 C14 C11 103(3) . . ?
N3 C14 C15 114(4) . . ?
C11 C14 C15 109(4) . . ?
O6 C15 O5 136(5) . . ?
O6 C15 C14 112(4) . . ?
O5 C15 C14 112(4) . . ?
C16 S4 Co2 103.7(16) . . ?
C16 S4 Au1 105.1(16) . . ?
Co2 S4 Au1 114.1(5) . . ?
C21 S5 Co2 102.5(15) . . ?
C21 S5 Au2 109.9(15) . . ?
Co2 S5 Au2 115.9(6) . . ?
C26 S6 Co2 101.6(15) . . ?
C26 S6 Au3 106.2(17) . . ?
Co2 S6 Au3 116.9(6) . . ?
N4 Co2 N5 95.5(16) . . ?
N4 Co2 N6 91.7(15) . . ?
N5 Co2 N6 92.8(16) . . ?
N4 Co2 S6 89.1(12) . . ?
N5 Co2 S6 174.2(12) . . ?
N6 Co2 S6 83.6(11) . . ?
N4 Co2 S4 84.3(11) . . ?
N5 Co2 S4 86.9(13) . . ?
N6 Co2 S4 176.0(12) . . ?
S6 Co2 S4 96.9(5) . . ?
N4 Co2 S5 176.1(12) . . ?
N5 Co2 S5 82.6(12) . . ?
N6 Co2 S5 91.7(11) . . ?
S6 Co2 S5 92.9(5) . . ?
S4 Co2 S5 92.2(5) . . ?
C18 C16 C17 121(4) . . ?
C18 C16 C19 111(4) . . ?
C17 C16 C19 114(4) . . ?
C18 C16 S4 103(3) . . ?
C17 C16 S4 107(3) . . ?
C19 C16 S4 97(3) . . ?
N4 C19 C20 114(4) . . ?
N4 C19 C16 109(4) . . ?
C20 C19 C16 106(4) . . ?
O7 C20 O8 128(5) . . ?
O7 C20 C19 115(4) . . ?
O8 C20 C19 118(5) . . ?
C20 O8 Na2 137(3) . . ?
C19 N4 Co2 118(3) . . ?
C24 N5 Co2 117(3) . . ?
C29 N6 Co2 117(3) . . ?
C22 C21 C24 116(4) . . ?
C22 C21 C23 110(4) . . ?
C24 C21 C23 108(4) . . ?
C22 C21 S5 107(3) . . ?
C24 C21 S5 103(3) . . ?
C23 C21 S5 114(3) . . ?
N5 C24 C21 112(4) . . ?
N5 C24 C25 123(4) . . ?
C21 C24 C25 114(4) . . ?
O10 C25 O9 120(5) . . ?
O10 C25 C24 129(5) . . ?
O9 C25 C24 107(5) . . ?
C28 C26 C27 104(4) . . ?
C28 C26 C29 105(4) . . ?
C27 C26 C29 104(4) . . ?
C28 C26 S6 109(3) . . ?
C27 C26 S6 125(3) . . ?
C29 C26 S6 108(3) . . ?
N6 C29 C30 113(4) . . ?
N6 C29 C26 105(3) . . ?
C30 C29 C26 125(4) . . ?
O11 C30 O12 132(4) . . ?
O11 C30 C29 114(4) . . ?
O12 C30 C29 113(4) . . ?
S7 Au4 S10 173.4(5) . . ?
S7 Au4 Au5 99.5(3) . . ?
S10 Au4 Au5 87.1(3) . . ?
S7 Au4 Au6 83.7(3) . . ?
S10 Au4 Au6 99.8(3) . . ?
Au5 Au4 Au6 58.08(6) . . ?
S11 Au5 S8 176.2(5) . . ?
S11 Au5 Au6 85.8(3) . . ?
S8 Au5 Au6 97.6(3) . . ?
S11 Au5 Au4 98.5(3) . . ?
S8 Au5 Au4 84.5(3) . . ?
Au6 Au5 Au4 63.71(7) . . ?
S12 Au6 S9 174.2(5) . . ?
S12 Au6 Au5 97.8(3) . . ?
S9 Au6 Au5 88.0(3) . . ?
S12 Au6 Au4 82.7(3) . . ?
S9 Au6 Au4 100.2(3) . . ?
Au5 Au6 Au4 58.22(6) . . ?
C31 S7 Co3 101.7(15) . . ?
C31 S7 Au4 108.0(14) . . ?
Co3 S7 Au4 115.8(6) . . ?
C36 S8 Co3 100.0(16) . . ?
C36 S8 Au5 111.3(17) . . ?
Co3 S8 Au5 115.3(6) . . ?
C41 S9 Co3 104.9(18) . . ?
C41 S9 Au6 103.1(18) . . ?
Co3 S9 Au6 112.4(5) . . ?
C46 S10 Co4 103.5(17) . . ?
C46 S10 Au4 105.7(17) . . ?
Co4 S10 Au4 112.7(6) . . ?
C51 S11 Co4 99.9(16) . . ?
C51 S11 Au5 111.8(16) . . ?
Co4 S11 Au5 114.4(6) . . ?
C56 S12 Co4 100.3(15) . . ?
C56 S12 Au6 108.9(15) . . ?
Co4 S12 Au6 117.2(6) . . ?
N8 Co3 N7 90.8(16) . . ?
N8 Co3 N9 96.8(16) . . ?
N7 Co3 N9 86.8(15) . . ?
N8 Co3 S9 83.9(12) . . ?
N7 Co3 S9 173.2(12) . . ?
N9 Co3 S9 89.6(12) . . ?
N8 Co3 S7 87.8(13) . . ?
N7 Co3 S7 85.7(11) . . ?
N9 Co3 S7 171.3(11) . . ?
S9 Co3 S7 98.3(5) . . ?
N8 Co3 S8 178.0(13) . . ?
N7 Co3 S8 91.2(11) . . ?
N9 Co3 S8 83.2(10) . . ?
S9 Co3 S8 94.1(5) . . ?
S7 Co3 S8 92.4(5) . . ?
C34 N7 Co3 110(3) . . ?
C44 N8 Co3 115(3) . . ?
C39 N9 Co3 117(3) . . ?
C32 C31 C34 114(4) . . ?
C32 C31 C33 116(4) . . ?
C34 C31 C33 106(4) . . ?
C32 C31 S7 103(3) . . ?
C34 C31 S7 100(3) . . ?
C33 C31 S7 118(3) . . ?
N7 C34 C31 116(4) . . ?
N7 C34 C35 112(4) . . ?
C31 C34 C35 111(4) . . ?
O14 C35 O13 136(5) . . ?
O14 C35 C34 112(5) . . ?
O13 C35 C34 112(5) . . ?
C39 C36 C37 120(5) . . ?
C39 C36 C38 106(4) . . ?
C37 C36 C38 104(4) . . ?
C39 C36 S8 109(4) . . ?
C37 C36 S8 107(4) . . ?
C38 C36 S8 110(3) . . ?
C36 C39 N9 113(4) . . ?
C36 C39 C40 119(4) . . ?
N9 C39 C40 116(4) . . ?
O15 C40 O16 131(5) . . ?
O15 C40 C39 117(4) . . ?
O16 C40 C39 112(4) . . ?
C43 C41 C42 114(4) . . ?
C43 C41 C44 102(4) . . ?
C42 C41 C44 107(4) . . ?
C43 C41 S9 112(4) . . ?
C42 C41 S9 118(4) . . ?
C44 C41 S9 100(3) . . ?
N8 C44 C45 107(4) . . ?
N8 C44 C41 105(4) . . ?
C45 C44 C41 108(4) . . ?
O17 C45 O18 121(5) . . ?
O17 C45 C44 132(5) . . ?
O18 C45 C44 105(4) . . ?
C50 O20 Na3 133(4) . . ?
N11 Co4 N10 95.4(17) . . ?
N11 Co4 N12 87.4(17) . . ?
N10 Co4 N12 88.5(16) . . ?
N11 Co4 S12 172.2(14) . . ?
N10 Co4 S12 88.0(12) . . ?
N12 Co4 S12 85.6(11) . . ?
N11 Co4 S10 89.6(14) . . ?
N10 Co4 S10 84.1(12) . . ?
N12 Co4 S10 171.7(12) . . ?
S12 Co4 S10 97.8(5) . . ?
N11 Co4 S11 83.7(13) . . ?
N10 Co4 S11 178.4(12) . . ?
N12 Co4 S11 92.8(12) . . ?
S12 Co4 S11 93.1(5) . . ?
S10 Co4 S11 94.5(5) . . ?
C49 N10 Co4 111(3) . . ?
C54 N11 Co4 120(3) . . ?
C59 N12 Co4 115(3) . . ?
C49 C46 C47 112(4) . . ?
C49 C46 C48 106(4) . . ?
C47 C46 C48 112(4) . . ?
C49 C46 S10 100(3) . . ?
C47 C46 S10 110(3) . . ?
C48 C46 S10 115(4) . . ?
N10 C49 C46 115(4) . . ?
N10 C49 C50 110(4) . . ?
C46 C49 C50 108(4) . . ?
O20 C50 O19 124(5) . . ?
O20 C50 C49 118(5) . . ?
O19 C50 C49 118(5) . . ?
C54 C51 C53 119(4) . . ?
C54 C51 C52 110(4) . . ?
C53 C51 C52 102(4) . . ?
C54 C51 S11 104(3) . . ?
C53 C51 S11 111(3) . . ?
C52 C51 S11 111(3) . . ?
N11 C54 C51 111(4) . . ?
N11 C54 C55 121(4) . . ?
C51 C54 C55 111(4) . . ?
O22 C55 O21 135(6) . . ?
O22 C55 C54 112(5) . . ?
O21 C55 C54 114(5) . . ?
C55 O22 Na5 135(4) . . ?
C58 C56 C57 110(4) . . ?
C58 C56 C59 109(4) . . ?
C57 C56 C59 113(4) . . ?
C58 C56 S12 117(3) . . ?
C57 C56 S12 105(3) . . ?
C59 C56 S12 103(3) . . ?
N12 C59 C60 118(4) . . ?
N12 C59 C56 110(4) . . ?
C60 C59 C56 110(4) . . ?
O24 C60 O23 126(5) . . ?
O24 C60 C59 117(5) . . ?
O23 C60 C59 116(5) . . ?
S13 Au7 S16 172.9(5) . . ?
S13 Au7 Au8 88.0(3) . . ?
S16 Au7 Au8 99.1(3) . . ?
S13 Au7 Au9 100.9(3) . . ?
S16 Au7 Au9 83.2(3) . . ?
Au8 Au7 Au9 58.61(6) . . ?
S14 Au8 S17 176.2(5) . . ?
S14 Au8 Au7 97.1(4) . . ?
S17 Au8 Au7 85.7(3) . . ?
S14 Au8 Au9 86.3(3) . . ?
S17 Au8 Au9 97.2(3) . . ?
Au7 Au8 Au9 63.03(7) . . ?
S18 Au9 S15 173.4(5) . . ?
S18 Au9 Au8 87.5(3) . . ?
S15 Au9 Au8 99.1(3) . . ?
S18 Au9 Au7 100.5(3) . . ?
S15 Au9 Au7 83.7(3) . . ?
Au8 Au9 Au7 58.37(6) . . ?
C61 S13 Co5 104.8(18) . . ?
C61 S13 Au7 105.6(17) . . ?
Co5 S13 Au7 112.6(5) . . ?
C66 S14 Au8 114.8(16) . . ?
C66 S14 Co5 102.5(16) . . ?
Au8 S14 Co5 116.1(6) . . ?
C71 S15 Co5 99.6(15) . . ?
C71 S15 Au9 108.4(15) . . ?
Co5 S15 Au9 116.0(6) . . ?
C76 S16 Co6 100.5(16) . . ?
C76 S16 Au7 107.8(16) . . ?
Co6 S16 Au7 116.3(6) . . ?
C81 S17 Co6 99.4(17) . . ?
C81 S17 Au8 112.8(17) . . ?
Co6 S17 Au8 115.8(6) . . ?
C86 S18 Co6 101.5(18) . . ?
C86 S18 Au9 106.7(17) . . ?
Co6 S18 Au9 113.3(5) . . ?
N13 Co5 N14 96.5(17) . . ?
N13 Co5 N15 89.4(17) . . ?
N14 Co5 N15 86.3(16) . . ?
N13 Co5 S15 88.3(13) . . ?
N14 Co5 S15 171.1(12) . . ?
N15 Co5 S15 86.3(12) . . ?
N13 Co5 S13 85.4(12) . . ?
N14 Co5 S13 90.1(12) . . ?
N15 Co5 S13 173.3(13) . . ?
S15 Co5 S13 97.7(5) . . ?
N13 Co5 S14 177.2(13) . . ?
N14 Co5 S14 81.8(12) . . ?
N15 Co5 S14 92.8(13) . . ?
S15 Co5 S14 93.6(5) . . ?
S13 Co5 S14 92.3(5) . . ?
C64 N13 Co5 115(3) . . ?
C69 N14 Co5 120(3) . . ?
C74 N15 Co5 112(3) . . ?
C62 C61 C63 122(4) . . ?
C62 C61 C64 103(4) . . ?
C63 C61 C64 108(4) . . ?
C62 C61 S13 114(3) . . ?
C63 C61 S13 107(3) . . ?
C64 C61 S13 100(3) . . ?
N13 C64 C65 111(4) . . ?
N13 C64 C61 112(4) . . ?
C65 C64 C61 113(4) . . ?
O25 C65 O26 129(5) . . ?
O25 C65 C64 113(4) . . ?
O26 C65 C64 118(5) . . ?
C67 C66 C69 114(4) . . ?
C67 C66 S14 116(4) . . ?
C69 C66 S14 111(3) . . ?
C67 C66 C68 105(4) . . ?
C69 C66 C68 103(4) . . ?
S14 C66 C68 107(3) . . ?
C66 C69 N14 112(4) . . ?
C66 C69 C70 125(4) . . ?
N14 C69 C70 113(4) . . ?
O28 C70 O27 127(5) . . ?
O28 C70 C69 118(5) . . ?
O27 C70 C69 111(4) . . ?
C73 C71 C74 118(4) . . ?
C73 C71 C72 111(4) . . ?
C74 C71 C72 106(4) . . ?
C73 C71 S15 118(3) . . ?
C74 C71 S15 102(3) . . ?
C72 C71 S15 101(3) . . ?
C71 C74 N15 104(4) . . ?
C71 C74 C75 116(4) . . ?
N15 C74 C75 106(4) . . ?
O30 C75 O29 143(5) . . ?
O30 C75 C74 116(5) . . ?
O29 C75 C74 100(4) . . ?
N17 Co6 N18 97.5(17) . . ?
N17 Co6 N16 86.3(16) . . ?
N18 Co6 N16 83.9(16) . . ?
N17 Co6 S17 84.7(12) . . ?
N18 Co6 S17 177.7(13) . . ?
N16 Co6 S17 95.7(12) . . ?
N17 Co6 S16 170.1(13) . . ?
N18 Co6 S16 84.4(13) . . ?
N16 Co6 S16 84.2(11) . . ?
S17 Co6 S16 93.3(5) . . ?
N17 Co6 S18 93.2(13) . . ?
N18 Co6 S18 87.6(11) . . ?
N16 Co6 S18 171.3(12) . . ?
S17 Co6 S18 92.9(5) . . ?
S16 Co6 S18 96.6(5) . . ?
C79 N16 Co6 119(3) . . ?
C84 N17 Co6 118(3) . . ?
C89 N18 Co6 113(3) . . ?
C77 C76 C78 115(5) . . ?
C77 C76 C79 111(4) . . ?
C78 C76 C79 112(4) . . ?
C77 C76 S16 113(4) . . ?
C78 C76 S16 104(3) . . ?
C79 C76 S16 100(3) . . ?
N16 C79 C80 118(4) . . ?
N16 C79 C76 111(4) . . ?
C80 C79 C76 110(4) . . ?
O32 C80 O31 132(4) . . ?
O32 C80 C79 115(4) . . ?
O31 C80 C79 112(4) . . ?
C84 C81 C83 112(4) . . ?
C84 C81 C82 113(4) . . ?
C83 C81 C82 108(4) . . ?
C84 C81 S17 108(4) . . ?
C83 C81 S17 103(4) . . ?
C82 C81 S17 112(3) . . ?
C81 C84 N17 108(4) . . ?
C81 C84 C85 111(4) . . ?
N17 C84 C85 120(4) . . ?
O33 C85 O34 139(6) . . ?
O33 C85 C84 108(5) . . ?
O34 C85 C84 109(5) . . ?
C87 C86 C89 111(4) . . ?
C87 C86 C88 113(4) . . ?
C89 C86 C88 106(4) . . ?
C87 C86 S18 109(3) . . ?
C89 C86 S18 106(3) . . ?
C88 C86 S18 112(3) . . ?
C90 C89 C86 118(4) . . ?
C90 C89 N18 112(4) . . ?
C86 C89 N18 108(4) . . ?
O36 C90 O35 123(5) . . ?
O36 C90 C89 119(5) . . ?
O35 C90 C89 117(5) . . ?
C90 O36 Na4 129(4) . . ?
C46A O1A C1A 120(3) . . ?
O4A C1A C2A 114(2) . . ?
O4A C1A O1A 108(2) . . ?
C2A C1A O1A 109(2) . . ?
O2A C2A C1A 126(2) . . ?
O2A C2A C3A 113(2) . . ?
C1A C2A C3A 116(2) . . ?
O3A C3A C4A 115(3) . . ?
O3A C3A C2A 113(2) . . ?
C4A C3A C2A 108(2) . . ?
C3A C4A O6A 108(3) . . ?
C3A C4A C5A 109(2) . . ?
O6A C4A C5A 103(3) . . ?
O4A C5A C6A 104(2) . . ?
O4A C5A C4A 107(2) . . ?
C6A C5A C4A 110(2) . . ?
O5A C6A C5A 110(3) . . ?
C5A O4A C1A 111(2) . . ?
C7A O6A C4A 116(3) . . ?
O6A C7A C8A 110(2) . . ?
O6A C7A O9A 122(2) . . ?
C8A C7A O9A 105(2) . . ?
O7A C8A C7A 123(3) . . ?
O7A C8A C9A 109(2) . . ?
C7A C8A C9A 110(2) . . ?
O8A C9A C10A 117(3) . . ?
O8A C9A C8A 108(2) . . ?
C10A C9A C8A 110(2) . . ?
C9A C10A O11A 104(3) . . ?
C9A C10A C11A 95(2) . . ?
O11A C10A C11A 109(3) . . ?
O9A C11A C12A 87.6(19) . . ?
O9A C11A C10A 87.1(12) . . ?
C12A C11A C10A 104(2) . . ?
O10A C12A C11A 118(3) . . ?
C11A O9A C7A 95.5(13) . . ?
C13A O11A C10A 115(4) . . ?
O14A C13A O11A 110(3) . . ?
O14A C13A C14A 111(3) . . ?
O11A C13A C14A 105(3) . . ?
O12A C14A C13A 124(3) . . ?
O12A C14A C15A 109(3) . . ?
C13A C14A C15A 110(2) . . ?
O13A C15A C16A 120(3) . . ?
O13A C15A C14A 104(3) . . ?
C16A C15A C14A 105(3) . . ?
O16A C16A C15A 111(4) . . ?
O16A C16A C17A 108(4) . . ?
C15A C16A C17A 109(2) . . ?
O14A C17A C18A 103(3) . . ?
O14A C17A C16A 109(3) . . ?
C18A C17A C16A 112(3) . . ?
O15A C18A C17A 112(3) . . ?
C17A O14A C13A 115(3) . . ?
C16A O16A C19A 117(4) . . ?
O19A C19A C20A 111(2) . . ?
O19A C19A O16A 108(3) . . ?
C20A C19A O16A 105(3) . . ?
O17A C20A C19A 118(3) . . ?
O17A C20A C21A 107(3) . . ?
C19A C20A C21A 112(2) . . ?
O18A C21A C22A 116(3) . . ?
O18A C21A C20A 102(3) . . ?
C22A C21A C20A 108(3) . . ?
O21A C22A C21A 117(4) . . ?
O21A C22A C23A 106(4) . . ?
C21A C22A C23A 110(3) . . ?
O19A C23A C24A 104(3) . . ?
O19A C23A C22A 110(3) . . ?
C24A C23A C22A 113(3) . . ?
O20A C24A C23A 112(3) . . ?
C23A O19A C19A 112(2) . . ?
C22A O21A C25A 126(5) . . ?
O24A C25A C26A 111(3) . . ?
O24A C25A O21A 112(3) . . ?
C26A C25A O21A 110(3) . . ?
O22A C26A C25A 126(3) . . ?
O22A C26A C27A 112(3) . . ?
C25A C26A C27A 117(2) . . ?
O23A C27A C28A 114(3) . . ?
O23A C27A C26A 107(3) . . ?
C28A C27A C26A 109(3) . . ?
O26A C28A C27A 105(4) . . ?
O26A C28A C29A 116(4) . . ?
C27A C28A C29A 110(3) . . ?
O24A C29A C30A 103(3) . . ?
O24A C29A C28A 106(3) . . ?
C30A C29A C28A 108(2) . . ?
O25A C30A C29A 105(2) . . ?
C29A O24A C25A 112(3) . . ?
C28A O26A C31A 124(5) . . ?
O29A C31A O26A 111(3) . . ?
O29A C31A C32A 114(2) . . ?
O26A C31A C32A 106(3) . . ?
O27A C32A C31A 116(3) . . ?
O27A C32A C33A 112(3) . . ?
C31A C32A C33A 111(2) . . ?
O28A C33A C34A 113(3) . . ?
O28A C33A C32A 108(3) . . ?
C34A C33A C32A 109(3) . . ?
C33A C34A C35A 109(2) . . ?
C33A C34A O31A 102(3) . . ?
C35A C34A O31A 108(4) . . ?
O29A C35A C36A 104(3) . . ?
O29A C35A C34A 107(3) . . ?
C36A C35A C34A 114(2) . . ?
O30A C36A C35A 113(2) . . ?
C35A O29A C31A 115(2) . . ?
C37A O31A C34A 112(3) . . ?
O34A C37A O31A 110(2) . . ?
O34A C37A C38A 114(2) . . ?
O31A C37A C38A 108(2) . . ?
O32A C38A C37A 118(3) . . ?
O32A C38A C39A 109(2) . . ?
C37A C38A C39A 113(2) . . ?
O33A C39A C40A 120(3) . . ?
O33A C39A C38A 104(2) . . ?
C40A C39A C38A 109(2) . . ?
C39A C40A O36A 105(3) . . ?
C39A C40A C41A 108(2) . . ?
O36A C40A C41A 108(3) . . ?
O34A C41A C42A 106(2) . . ?
O34A C41A C40A 107(2) . . ?
C42A C41A C40A 115(2) . . ?
O35A C42A C41A 112(2) . . ?
C41A O34A C37A 112(2) . . ?
C43A O36A C40A 117(3) . . ?
O39A C43A O36A 108(2) . . ?
O39A C43A C44A 111(2) . . ?
O36A C43A C44A 107(2) . . ?
O37A C44A C43A 117(2) . . ?
O37A C44A C45A 112(2) . . ?
C43A C44A C45A 111(2) . . ?
O38A C45A C46A 116(3) . . ?
O38A C45A C44A 105(2) . . ?
C46A C45A C44A 106(2) . . ?
O1A C46A C45A 108(3) . . ?
O1A C46A C47A 112(3) . . ?
C45A C46A C47A 111(2) . . ?
O39A C47A C48A 102(2) . . ?
O39A C47A C46A 110(2) . . ?
C48A C47A C46A 113(2) . . ?
O40A C48A C47A 107(2) . . ?
C43A O39A C47A 113(2) . . ?
C1B O1B C46B 111(3) . . ?
O4B C1B O1B 112(2) . . ?
O4B C1B C2B 111(2) . . ?
O1B C1B C2B 107(2) . . ?
O2B C2B C1B 115(2) . . ?
O2B C2B C3B 107(2) . . ?
C1B C2B C3B 113(2) . . ?
O3B C3B C4B 118(3) . . ?
O3B C3B C2B 103(2) . . ?
C4B C3B C2B 108(2) . . ?
O6B C4B C3B 111(3) . . ?
O6B C4B C5B 115(3) . . ?
C3B C4B C5B 109(2) . . ?
O4B C5B C6B 105(2) . . ?
O4B C5B C4B 108(2) . . ?
C6B C5B C4B 115(2) . . ?
O5B C6B C5B 114(2) . . ?
C5B O4B C1B 112(2) . . ?
C4B O6B C7B 122(3) . . ?
O9B C7B O6B 110(2) . . ?
O9B C7B C8B 110(2) . . ?
O6B C7B C8B 107(2) . . ?
O7B C8B C7B 119(2) . . ?
O7B C8B C9B 111(2) . . ?
C7B C8B C9B 110(2) . . ?
O8B C9B C10B 120(3) . . ?
O8B C9B C8B 102(2) . . ?
C10B C9B C8B 108(2) . . ?
O11B C10B C9B 109(3) . . ?
O11B C10B C11B 107(3) . . ?
C9B C10B C11B 108(2) . . ?
O9B C11B C12B 100(2) . . ?
O9B C11B C10B 109(2) . . ?
C12B C11B C10B 111(2) . . ?
O10B C12B C11B 107(2) . . ?
C11B O9B C7B 112(2) . . ?
C10B O11B C13B 121(3) . . ?
O14B C13B C14B 113(2) . . ?
O14B C13B O11B 106(2) . . ?
C14B C13B O11B 110(2) . . ?
O12B C14B C13B 124(2) . . ?
O12B C14B C15B 110(2) . . ?
C13B C14B C15B 116(2) . . ?
O13B C15B C16B 115(3) . . ?
O13B C15B C14B 109(2) . . ?
C16B C15B C14B 108(2) . . ?
C15B C16B O16B 102(3) . . ?
C15B C16B C17B 108(2) . . ?
O16B C16B C17B 108(4) . . ?
O14B C17B C18B 105(3) . . ?
O14B C17B C16B 109(3) . . ?
C18B C17B C16B 112(2) . . ?
O15B C18B C17B 110(3) . . ?
C17B O14B C13B 115(2) . . ?
C19B O16B C16B 114(4) . . ?
O19B C19B C20B 110(2) . . ?
O19B C19B O16B 111(3) . . ?
C20B C19B O16B 109(3) . . ?
O17B C20B C19B 127(3) . . ?
O17B C20B C21B 109(2) . . ?
C19B C20B C21B 115(2) . . ?
O18B C21B C22B 113(3) . . ?
O18B C21B C20B 101(3) . . ?
C22B C21B C20B 109(3) . . ?
O21B C22B C21B 111(4) . . ?
O21B C22B C23B 116(4) . . ?
C21B C22B C23B 113(2) . . ?
O19B C23B C22B 111(3) . . ?
O19B C23B C24B 104(3) . . ?
C22B C23B C24B 112(3) . . ?
O20B C24B C23B 112(3) . . ?
C23B O19B C19B 116(3) . . ?
C22B O21B C25B 122(5) . . ?
O24B C25B C26B 112(3) . . ?
O24B C25B O21B 110(3) . . ?
C26B C25B O21B 108(3) . . ?
O22B C26B C25B 127(3) . . ?
O22B C26B C27B 105(3) . . ?
C25B C26B C27B 114(3) . . ?
O23B C27B C28B 117(3) . . ?
O23B C27B C26B 98(3) . . ?
C28B C27B C26B 110(3) . . ?
C27B C28B C29B 110(3) . . ?
C27B C28B O26B 106(5) . . ?
C29B C28B O26B 108(5) . . ?
O24B C29B C30B 102(3) . . ?
O24B C29B C28B 107(3) . . ?
C30B C29B C28B 111(3) . . ?
O25B C30B C29B 110(3) . . ?
C29B O24B C25B 116(3) . . ?
C31B O26B C28B 117(5) . . ?
O29B C31B C32B 110(3) . . ?
O29B C31B O26B 109(3) . . ?
C32B C31B O26B 108(3) . . ?
O27B C32B C31B 124(3) . . ?
O27B C32B C33B 105(3) . . ?
C31B C32B C33B 115(3) . . ?
O28B C33B C34B 117(3) . . ?
O28B C33B C32B 100(3) . . ?
C34B C33B C32B 107(3) . . ?
O31B C34B C33B 101(4) . . ?
O31B C34B C35B 111(5) . . ?
C33B C34B C35B 108(3) . . ?
O29B C35B C36B 103(3) . . ?
O29B C35B C34B 106(3) . . ?
C36B C35B C34B 112(3) . . ?
O30B C36B C35B 111(3) . . ?
C35B O29B C31B 112(3) . . ?
C34B O31B C37B 115(4) . . ?
O34B C37B C38B 113(2) . . ?
O34B C37B O31B 109(3) . . ?
C38B C37B O31B 108(3) . . ?
O32B C38B C37B 124(3) . . ?
O32B C38B C39B 107(3) . . ?
C37B C38B C39B 113(2) . . ?
O33B C39B C40B 119(3) . . ?
O33B C39B C38B 103(3) . . ?
C40B C39B C38B 107(3) . . ?
C39B C40B O36B 105(4) . . ?
C39B C40B C41B 109(3) . . ?
O36B C40B C41B 103(4) . . ?
O34B C41B C42B 103(3) . . ?
O34B C41B C40B 108(3) . . ?
C42B C41B C40B 109(2) . . ?
O35B C42B C41B 107(3) . . ?
C41B O34B C37B 113(3) . . ?
C43B O36B C40B 119(4) . . ?
O39B C43B O36B 109(3) . . ?
O39B C43B C44B 114(2) . . ?
O36B C43B C44B 109(3) . . ?
O37B C44B C43B 121(3) . . ?
O37B C44B C45B 111(3) . . ?
C43B C44B C45B 114(2) . . ?
O38B C45B C46B 115(3) . . ?
O38B C45B C44B 109(3) . . ?
C46B C45B C44B 107(2) . . ?
O1B C46B C45B 104(3) . . ?
O1B C46B C47B 111(3) . . ?
C45B C46B C47B 111(2) . . ?
O39B C47B C48B 104(2) . . ?
O39B C47B C46B 110(2) . . ?
C48B C47B C46B 114(2) . . ?
O40B C48B C47B 112(2) . . ?
C43B O39B C47B 113(2) . . ?
C46C O1C C1C 121(3) . . ?
O4C C1C C2C 113(2) . . ?
O4C C1C O1C 112(2) . . ?
C2C C1C O1C 108(2) . . ?
O2C C2C C1C 127(2) . . ?
O2C C2C C3C 111(2) . . ?
C1C C2C C3C 115(2) . . ?
O3C C3C C4C 115(3) . . ?
O3C C3C C2C 104(2) . . ?
C4C C3C C2C 110(2) . . ?
O6C C4C C3C 107(3) . . ?
O6C C4C C5C 110(3) . . ?
C3C C4C C5C 110(2) . . ?
O4C C5C C6C 104(2) . . ?
O4C C5C C4C 110(2) . . ?
C6C C5C C4C 113(2) . . ?
O5C C6C C5C 109(2) . . ?
C5C O4C C1C 113(2) . . ?
C4C O6C C7C 119(3) . . ?
O9C C7C C8C 114(2) . . ?
O9C C7C O6C 113(2) . . ?
C8C C7C O6C 108(2) . . ?
O7C C8C C7C 122(3) . . ?
O7C C8C C9C 105(2) . . ?
C7C C8C C9C 113(2) . . ?
O8C C9C C10C 118(3) . . ?
O8C C9C C8C 101(2) . . ?
C10C C9C C8C 107(2) . . ?
O11C C10C C9C 105(3) . . ?
O11C C10C C11C 112(4) . . ?
C9C C10C C11C 109(2) . . ?
O9C C11C C12C 105(2) . . ?
O9C C11C C10C 107(2) . . ?
C12C C11C C10C 113(2) . . ?
O10C C12C C11C 111(2) . . ?
C11C O9C C7C 114(2) . . ?
C10C O11C C13C 118(4) . . ?
O14C C13C C14C 113(2) . . ?
O14C C13C O11C 109(3) . . ?
C14C C13C O11C 105(3) . . ?
O12C C14C C13C 127(3) . . ?
O12C C14C C15C 109(3) . . ?
C13C C14C C15C 112(2) . . ?
O13C C15C C16C 120(3) . . ?
O13C C15C C14C 101(2) . . ?
C16C C15C C14C 104(3) . . ?
C15C C16C O16C 105(4) . . ?
C15C C16C C17C 110(3) . . ?
O16C C16C C17C 106(4) . . ?
O14C C17C C18C 102(3) . . ?
O14C C17C C16C 110(3) . . ?
C18C C17C C16C 111(3) . . ?
O15C C18C C17C 112(3) . . ?
C17C O14C C13C 115(2) . . ?
C19C O16C C16C 122(4) . . ?
O19C C19C C20C 113(3) . . ?
O19C C19C O16C 110(3) . . ?
C20C C19C O16C 107(3) . . ?
O17C C20C C19C 125(3) . . ?
O17C C20C C21C 107(3) . . ?
C19C C20C C21C 114(2) . . ?
O18C C21C C22C 119(3) . . ?
O18C C21C C20C 102(2) . . ?
C22C C21C C20C 105(3) . . ?
O21C C22C C21C 103(4) . . ?
O21C C22C C23C 113(4) . . ?
C21C C22C C23C 107(2) . . ?
O19C C23C C24C 104(3) . . ?
O19C C23C C22C 110(3) . . ?
C24C C23C C22C 116(3) . . ?
O20C C24C C23C 111(3) . . ?
C23C O19C C19C 114(3) . . ?
C25C O21C C22C 117(4) . . ?
O24C C25C C26C 114(3) . . ?
O24C C25C O21C 111(3) . . ?
C26C C25C O21C 107(3) . . ?
O22C C26C C25C 125(3) . . ?
O22C C26C C27C 106(3) . . ?
C25C C26C C27C 112(2) . . ?
O23C C27C C28C 122(3) . . ?
O23C C27C C26C 104(3) . . ?
C28C C27C C26C 109(3) . . ?
O26C C28C C27C 107(4) . . ?
O26C C28C C29C 111(4) . . ?
C27C C28C C29C 110(3) . . ?
O24C C29C C30C 100(2) . . ?
O24C C29C C28C 108(3) . . ?
C30C C29C C28C 105(2) . . ?
O25C C30C C29C 104(2) . . ?
C29C O24C C25C 113(2) . . ?
C28C O26C C31C 119(5) . . ?
O29C C31C C32C 114(3) . . ?
O29C C31C O26C 113(3) . . ?
C32C C31C O26C 104(3) . . ?
O27C C32C C31C 118(3) . . ?
O27C C32C C33C 114(3) . . ?
C31C C32C C33C 114(2) . . ?
O28C C33C C34C 118(3) . . ?
O28C C33C C32C 109(3) . . ?
C34C C33C C32C 107(3) . . ?
O31C C34C C33C 101(3) . . ?
O31C C34C C35C 113(4) . . ?
C33C C34C C35C 114(3) . . ?
O29C C35C C36C 103(3) . . ?
O29C C35C C34C 110(3) . . ?
C36C C35C C34C 114(3) . . ?
O30C C36C C35C 113(3) . . ?
C35C O29C C31C 113(2) . . ?
C34C O31C C37C 116(4) . . ?
O34C C37C C38C 114(2) . . ?
O34C C37C O31C 111(3) . . ?
C38C C37C O31C 107(2) . . ?
O32C C38C C37C 117(2) . . ?
O32C C38C C39C 110(2) . . ?
C37C C38C C39C 115(2) . . ?
O33C C39C C40C 112(3) . . ?
O33C C39C C38C 108(3) . . ?
C40C C39C C38C 108(2) . . ?
O36C C40C C39C 104(3) . . ?
O36C C40C C41C 114(3) . . ?
C39C C40C C41C 111(2) . . ?
O34C C41C C42C 104(2) . . ?
O34C C41C C40C 108(2) . . ?
C42C C41C C40C 117(2) . . ?
O35C C42C C41C 113(3) . . ?
C41C O34C C37C 113(2) . . ?
C43C O36C C40C 117(3) . . ?
O39C C43C O36C 112(2) . . ?
O39C C43C C44C 111(2) . . ?
O36C C43C C44C 106(2) . . ?
O37C C44C C43C 115(2) . . ?
O37C C44C C45C 109(2) . . ?
C43C C44C C45C 110(2) . . ?
O38C C45C C46C 116(3) . . ?
O38C C45C C44C 105(2) . . ?
C46C C45C C44C 108(2) . . ?
O1C C46C C45C 108(3) . . ?
O1C C46C C47C 107(3) . . ?
C45C C46C C47C 109(2) . . ?
O39C C47C C46C 108(2) . . ?
O39C C47C C48C 99(2) . . ?
C46C C47C C48C 116(3) . . ?
O40C C48C C47C 104(2) . . ?
C43C O39C C47C 111(2) . . ?
C1D O1D C46D 113(3) . . ?
O4D C1D C2D 112(2) . . ?
O4D C1D O1D 110(2) . . ?
C2D C1D O1D 108(2) . . ?
O2D C2D C1D 121(2) . . ?
O2D C2D C3D 108(2) . . ?
C1D C2D C3D 114(2) . . ?
O3D C3D C4D 115(3) . . ?
O3D C3D C2D 103(2) . . ?
C4D C3D C2D 108(2) . . ?
O6D C4D C3D 108(3) . . ?
O6D C4D C5D 113(3) . . ?
C3D C4D C5D 108(2) . . ?
O4D C5D C6D 107(2) . . ?
O4D C5D C4D 108(2) . . ?
C6D C5D C4D 115(2) . . ?
O5D C6D C5D 113(3) . . ?
C5D O4D C1D 113(2) . . ?
C4D O6D C7D 121(3) . . ?
O9D C7D O6D 112(2) . . ?
O9D C7D C8D 110(2) . . ?
O6D C7D C8D 108(2) . . ?
O7D C8D C7D 117(2) . . ?
O7D C8D C9D 110(2) . . ?
C7D C8D C9D 111(2) . . ?
O8D C9D C10D 120(3) . . ?
O8D C9D C8D 106(2) . . ?
C10D C9D C8D 108(2) . . ?
O11D C10D C9D 112(3) . . ?
O11D C10D C11D 105(3) . . ?
C9D C10D C11D 109(2) . . ?
O9D C11D C12D 99(2) . . ?
O9D C11D C10D 108(2) . . ?
C12D C11D C10D 114(3) . . ?
O10D C12D C11D 104(2) . . ?
C7D O9D C11D 112(2) . . ?
C10D O11D C13D 121(3) . . ?
O14D C13D C14D 111(2) . . ?
O14D C13D O11D 110(2) . . ?
C14D C13D O11D 109(2) . . ?
O12D C14D C13D 123(2) . . ?
O12D C14D C15D 112(2) . . ?
C13D C14D C15D 114(2) . . ?
O13D C15D C16D 112(3) . . ?
O13D C15D C14D 106(2) . . ?
C16D C15D C14D 108(2) . . ?
O16D C16D C15D 107(3) . . ?
O16D C16D C17D 110(3) . . ?
C15D C16D C17D 106(2) . . ?
O14D C17D C18D 104(2) . . ?
O14D C17D C16D 107(2) . . ?
C18D C17D C16D 111(2) . . ?
O15D C18D C17D 109(2) . . ?
C17D O14D C13D 112(2) . . ?
C16D O16D C19D 120(3) . . ?
O19D C19D C20D 112(2) . . ?
O19D C19D O16D 111(2) . . ?
C20D C19D O16D 108(3) . . ?
O17D C20D C19D 128(3) . . ?
O17D C20D C21D 107(2) . . ?
C19D C20D C21D 114(2) . . ?
O18D C21D C22D 115(3) . . ?
O18D C21D C20D 105(3) . . ?
C22D C21D C20D 107(2) . . ?
O21D C22D C21D 104(3) . . ?
O21D C22D C23D 113(4) . . ?
C21D C22D C23D 108(2) . . ?
O19D C23D C24D 105(2) . . ?
O19D C23D C22D 106(2) . . ?
C24D C23D C22D 112(3) . . ?
O20D C24D C23D 111(2) . . ?
C23D O19D C19D 114(2) . . ?
C22D O21D C25D 117(4) . . ?
O24D C25D C26D 112(2) . . ?
O24D C25D O21D 109(3) . . ?
C26D C25D O21D 105(3) . . ?
O22D C26D C25D 123(3) . . ?
O22D C26D C27D 112(3) . . ?
C25D C26D C27D 111(2) . . ?
O23D C27D C28D 117(3) . . ?
O23D C27D C26D 103(3) . . ?
C28D C27D C26D 108(3) . . ?
O26D C28D C27D 108(4) . . ?
O26D C28D C29D 110(4) . . ?
C27D C28D C29D 112(3) . . ?
O24D C29D C30D 102(3) . . ?
O24D C29D C28D 110(3) . . ?
C30D C29D C28D 113(3) . . ?
O25D C30D C29D 110(3) . . ?
C29D O24D C25D 115(3) . . ?
C28D O26D C31D 123(5) . . ?
O29D C31D C32D 114(2) . . ?
O29D C31D O26D 111(3) . . ?
C32D C31D O26D 109(3) . . ?
O27D C32D C31D 128(3) . . ?
O27D C32D C33D 108(3) . . ?
C31D C32D C33D 114(3) . . ?
O28D C33D C34D 121(3) . . ?
O28D C33D C32D 104(2) . . ?
C34D C33D C32D 108(3) . . ?
C33D C34D O31D 106(4) . . ?
C33D C34D C35D 108(2) . . ?
O31D C34D C35D 105(4) . . ?
O29D C35D C36D 103(3) . . ?
O29D C35D C34D 108(3) . . ?
C36D C35D C34D 112(3) . . ?
O30D C36D C35D 110(3) . . ?
C35D O29D C31D 115(3) . . ?
C37D O31D C34D 113(4) . . ?
O34D C37D C38D 112(2) . . ?
O34D C37D O31D 108(3) . . ?
C38D C37D O31D 108(3) . . ?
O32D C38D C37D 122(3) . . ?
O32D C38D C39D 107(3) . . ?
C37D C38D C39D 115(2) . . ?
O33D C39D C40D 119(3) . . ?
O33D C39D C38D 103(2) . . ?
C40D C39D C38D 108(3) . . ?
O36D C40D C39D 105(4) . . ?
O36D C40D C41D 108(4) . . ?
C39D C40D C41D 109(3) . . ?
O34D C41D C42D 102(3) . . ?
O34D C41D C40D 107(3) . . ?
C42D C41D C40D 112(2) . . ?
O35D C42D C41D 108(2) . . ?
C37D O34D C41D 112(2) . . ?
C40D O36D C43D 119(4) . . ?
O39D C43D C44D 114(2) . . ?
O39D C43D O36D 110(3) . . ?
C44D C43D O36D 107(2) . . ?
O37D C44D C43D 124(3) . . ?
O37D C44D C45D 110(2) . . ?
C43D C44D C45D 113(2) . . ?
O38D C45D C46D 117(3) . . ?
O38D C45D C44D 104(2) . . ?
C46D C45D C44D 108(2) . . ?
C45D C46D O1D 101(3) . . ?
C45D C46D C47D 111(2) . . ?
O1D C46D C47D 111(3) . . ?
O39D C47D C48D 104(2) . . ?
O39D C47D C46D 110(2) . . ?
C48D C47D C46D 115(2) . . ?
O40D C48D C47D 113(2) . . ?
C47D O39D C43D 113(2) . . ?
C1E O1E C46E 115(3) . . ?
O4E C1E C2E 112(2) . . ?
O4E C1E O1E 110(2) . . ?
C2E C1E O1E 108(2) . . ?
O2E C2E C1E 122(2) . . ?
O2E C2E C3E 109(2) . . ?
C1E C2E C3E 115(2) . . ?
O3E C3E C4E 114(3) . . ?
O3E C3E C2E 105(2) . . ?
C4E C3E C2E 109(2) . . ?
O6E C4E C3E 105(3) . . ?
O6E C4E C5E 114(3) . . ?
C3E C4E C5E 109(2) . . ?
O4E C5E C6E 103(2) . . ?
O4E C5E C4E 110(2) . . ?
C6E C5E C4E 111(2) . . ?
O5E C6E C5E 110(2) . . ?
C1E O4E C5E 113(2) . . ?
C4E O6E C7E 120(3) . . ?
O9E C7E C8E 114(2) . . ?
O9E C7E O6E 112(3) . . ?
C8E C7E O6E 108(2) . . ?
O7E C8E C7E 124(3) . . ?
O7E C8E C9E 107(2) . . ?
C7E C8E C9E 111(2) . . ?
O8E C9E C10E 116(3) . . ?
O8E C9E C8E 103(2) . . ?
C10E C9E C8E 107(2) . . ?
O11E C10E C9E 106(3) . . ?
O11E C10E C11E 112(3) . . ?
C9E C10E C11E 110(2) . . ?
O9E C11E C12E 106(2) . . ?
O9E C11E C10E 109(2) . . ?
C12E C11E C10E 113(2) . . ?
O10E C12E C11E 113(3) . . ?
C11E O9E C7E 114(2) . . ?
C10E O11E C13E 117(3) . . ?
O14E C13E C14E 111(2) . . ?
O14E C13E O11E 110(3) . . ?
C14E C13E O11E 107(3) . . ?
O12E C14E C13E 128(3) . . ?
O12E C14E C15E 109(2) . . ?
C13E C14E C15E 113(2) . . ?
O13E C15E C16E 120(3) . . ?
O13E C15E C14E 99(2) . . ?
C16E C15E C14E 108(3) . . ?
O16E C16E C15E 111(4) . . ?
O16E C16E C17E 108(4) . . ?
C15E C16E C17E 110(2) . . ?
O14E C17E C18E 102(3) . . ?
O14E C17E C16E 111(3) . . ?
C18E C17E C16E 111(3) . . ?
O15E C18E C17E 111(3) . . ?
C17E O14E C13E 114(2) . . ?
C16E O16E C19E 119(4) . . ?
O19E C19E C20E 112(2) . . ?
O19E C19E O16E 110(2) . . ?
C20E C19E O16E 108(3) . . ?
O17E C20E C19E 126(3) . . ?
O17E C20E C21E 108(2) . . ?
C19E C20E C21E 117(2) . . ?
O18E C21E C22E 118(3) . . ?
O18E C21E C20E 102(2) . . ?
C22E C21E C20E 106(2) . . ?
O21E C22E C21E 101(3) . . ?
O21E C22E C23E 112(4) . . ?
C21E C22E C23E 107(2) . . ?
O19E C23E C24E 104(2) . . ?
O19E C23E C22E 107(3) . . ?
C24E C23E C22E 113(2) . . ?
O20E C24E C23E 112(3) . . ?
C23E O19E C19E 111(2) . . ?
C22E O21E C25E 116(4) . . ?
O24E C25E C26E 113(3) . . ?
O24E C25E O21E 111(3) . . ?
C26E C25E O21E 106(3) . . ?
O22E C26E C25E 126(3) . . ?
O22E C26E C27E 109(3) . . ?
C25E C26E C27E 116(2) . . ?
O23E C27E C28E 116(3) . . ?
O23E C27E C26E 103(3) . . ?
C28E C27E C26E 104(3) . . ?
C27E C28E O26E 101(4) . . ?
C27E C28E C29E 108(3) . . ?
O26E C28E C29E 105(4) . . ?
O24E C29E C30E 105(3) . . ?
O24E C29E C28E 109(3) . . ?
C30E C29E C28E 113(3) . . ?
O25E C30E C29E 109(3) . . ?
C29E O24E C25E 112(2) . . ?
C31E O26E C28E 117(4) . . ?
O29E C31E C32E 113(3) . . ?
O29E C31E O26E 110(3) . . ?
C32E C31E O26E 109(3) . . ?
O27E C32E C31E 125(3) . . ?
O27E C32E C33E 111(3) . . ?
C31E C32E C33E 115(2) . . ?
O28E C33E C34E 118(3) . . ?
O28E C33E C32E 107(2) . . ?
C34E C33E C32E 107(3) . . ?
O31E C34E C33E 106(4) . . ?
O31E C34E C35E 107(4) . . ?
C33E C34E C35E 110(2) . . ?
O29E C35E C36E 104(3) . . ?
O29E C35E C34E 110(3) . . ?
C36E C35E C34E 115(3) . . ?
O30E C36E C35E 111(3) . . ?
C35E O29E C31E 113(3) . . ?
C34E O31E C37E 115(4) . . ?
O34E C37E C38E 115(2) . . ?
O34E C37E O31E 111(3) . . ?
C38E C37E O31E 108(3) . . ?
O32E C38E C37E 118(3) . . ?
O32E C38E C39E 108(2) . . ?
C37E C38E C39E 112(2) . . ?
O33E C39E C40E 122(3) . . ?
O33E C39E C38E 103(2) . . ?
C40E C39E C38E 108(2) . . ?
C39E C40E O36E 106(3) . . ?
C39E C40E C41E 108(2) . . ?
O36E C40E C41E 112(3) . . ?
O34E C41E C42E 106(3) . . ?
O34E C41E C40E 107(3) . . ?
C42E C41E C40E 117(2) . . ?
O35E C42E C41E 112(3) . . ?
C41E O34E C37E 113(2) . . ?
C43E O36E C40E 118(3) . . ?
O39E C43E O36E 110(2) . . ?
O39E C43E C44E 112(2) . . ?
O36E C43E C44E 106(2) . . ?
O37E C44E C43E 120(2) . . ?
O37E C44E C45E 111(2) . . ?
C43E C44E C45E 112(2) . . ?
O38E C45E C46E 122(3) . . ?
O38E C45E C44E 104(2) . . ?
C46E C45E C44E 105(2) . . ?
C45E C46E O1E 104(3) . . ?
C45E C46E C47E 109(2) . . ?
O1E C46E C47E 104(3) . . ?
O39E C47E C48E 101(2) . . ?
O39E C47E C46E 110(2) . . ?
C48E C47E C46E 111(2) . . ?
O40E C48E C47E 108(2) . . ?
C47E O39E C43E 114(2) . . ?
C1F O1F C46F 116(4) . . ?
O4F C1F C2F 112(2) . . ?
O4F C1F O1F 111(3) . . ?
C2F C1F O1F 104(2) . . ?
O2F C2F C1F 116(3) . . ?
O2F C2F C3F 110(3) . . ?
C1F C2F C3F 114(2) . . ?
O3F C3F C4F 115(3) . . ?
O3F C3F C2F 107(3) . . ?
C4F C3F C2F 107(3) . . ?
C3F C4F O6F 102(3) . . ?
C3F C4F C5F 110(2) . . ?
O6F C4F C5F 113(4) . . ?
O4F C5F C6F 104(2) . . ?
O4F C5F C4F 107(3) . . ?
C6F C5F C4F 115(3) . . ?
O5F C6F C5F 111(3) . . ?
C1F O4F C5F 112(2) . . ?
C7F O6F C4F 114(3) . . ?
O9F C7F O6F 111(3) . . ?
O9F C7F C8F 114(2) . . ?
O6F C7F C8F 107(2) . . ?
O7F C8F C7F 118(2) . . ?
O7F C8F C9F 109(2) . . ?
C7F C8F C9F 114(2) . . ?
O8F C9F C10F 117(3) . . ?
O8F C9F C8F 103(2) . . ?
C10F C9F C8F 108(2) . . ?
O11F C10F C9F 114(3) . . ?
O11F C10F C11F 106(3) . . ?
C9F C10F C11F 109(2) . . ?
O9F C11F C12F 104(2) . . ?
O9F C11F C10F 109(2) . . ?
C12F C11F C10F 118(2) . . ?
O10F C12F C11F 113(3) . . ?
C11F O9F C7F 111(2) . . ?
C10F O11F C13F 120(3) . . ?
O14F C13F O11F 109(2) . . ?
O14F C13F C14F 111(2) . . ?
O11F C13F C14F 108(2) . . ?
O12F C14F C13F 120(2) . . ?
O12F C14F C15F 111(2) . . ?
C13F C14F C15F 112(2) . . ?
O13F C15F C16F 121(3) . . ?
O13F C15F C14F 107(2) . . ?
C16F C15F C14F 108(2) . . ?
C15F C16F O16F 105(3) . . ?
C15F C16F C17F 110(2) . . ?
O16F C16F C17F 106(3) . . ?
O14F C17F C18F 101(2) . . ?
O14F C17F C16F 111(2) . . ?
C18F C17F C16F 111(2) . . ?
O15F C18F C17F 107(2) . . ?
C17F O14F C13F 113(2) . . ?
C19F O16F C16F 115(3) . . ?
O19F C19F C20F 114(2) . . ?
O19F C19F O16F 107(2) . . ?
C20F C19F O16F 108(2) . . ?
O17F C20F C19F 125(2) . . ?
O17F C20F C21F 113(2) . . ?
C19F C20F C21F 115(2) . . ?
O18F C21F C22F 116(3) . . ?
O18F C21F C20F 104(2) . . ?
C22F C21F C20F 109(2) . . ?
O21F C22F C21F 106(3) . . ?
O21F C22F C23F 112(3) . . ?
C21F C22F C23F 111(2) . . ?
O19F C23F C24F 105(2) . . ?
O19F C23F C22F 109(2) . . ?
C24F C23F C22F 114(2) . . ?
O20F C24F C23F 108(2) . . ?
C23F O19F C19F 115(2) . . ?
C22F O21F C25F 119(3) . . ?
O24F C25F C26F 115(2) . . ?
O24F C25F O21F 109(2) . . ?
C26F C25F O21F 108(2) . . ?
O22F C26F C25F 122(3) . . ?
O22F C26F C27F 108(2) . . ?
C25F C26F C27F 112(2) . . ?
O23F C27F C28F 115(3) . . ?
O23F C27F C26F 105(2) . . ?
C28F C27F C26F 109(2) . . ?
C27F C28F O26F 105(3) . . ?
C27F C28F C29F 109(2) . . ?
O26F C28F C29F 110(3) . . ?
O24F C29F C30F 106(2) . . ?
O24F C29F C28F 107(2) . . ?
C30F C29F C28F 112(3) . . ?
O25F C30F C29F 111(3) . . ?
C29F O24F C25F 116(2) . . ?
C31F O26F C28F 112(3) . . ?
O29F C31F C32F 110(2) . . ?
O29F C31F O26F 108(3) . . ?
C32F C31F O26F 106(3) . . ?
O27F C32F C31F 121(3) . . ?
O27F C32F C33F 113(3) . . ?
C31F C32F C33F 111(2) . . ?
O28F C33F C34F 115(3) . . ?
O28F C33F C32F 103(2) . . ?
C34F C33F C32F 106(3) . . ?
O31F C34F C33F 110(4) . . ?
O31F C34F C35F 109(4) . . ?
C33F C34F C35F 111(2) . . ?
O29F C35F C36F 102(3) . . ?
O29F C35F C34F 110(3) . . ?
C36F C35F C34F 112(3) . . ?
O30F C36F C35F 113(3) . . ?
C35F O29F C31F 113(2) . . ?
C37F O31F C34F 120(5) . . ?
O34F C37F C38F 112(3) . . ?
O34F C37F O31F 108(3) . . ?
C38F C37F O31F 110(3) . . ?
O32F C38F C37F 124(3) . . ?
O32F C38F C39F 106(3) . . ?
C37F C38F C39F 114(2) . . ?
O33F C39F C40F 116(3) . . ?
O33F C39F C38F 105(3) . . ?
C40F C39F C38F 106(3) . . ?
O36F C40F C39F 101(4) . . ?
O36F C40F C41F 119(5) . . ?
C39F C40F C41F 114(3) . . ?
O34F C41F C40F 106(3) . . ?
O34F C41F C42F 103(3) . . ?
C40F C41F C42F 111(3) . . ?
O35F C42F C41F 110(3) . . ?
C41F O34F C37F 112(3) . . ?
C40F O36F C43F 122(5) . . ?
O39F C43F C44F 117(2) . . ?
O39F C43F O36F 116(3) . . ?
C44F C43F O36F 106(3) . . ?
O37F C44F C43F 119(3) . . ?
O37F C44F C45F 108(3) . . ?
C43F C44F C45F 111(2) . . ?
O38F C45F C46F 123(3) . . ?
O38F C45F C44F 103(3) . . ?
C46F C45F C44F 108(3) . . ?
C45F C46F C47F 108(3) . . ?
C45F C46F O1F 103(4) . . ?
C47F C46F O1F 100(4) . . ?
O39F C47F C48F 103(3) . . ?
O39F C47F C46F 106(3) . . ?
C48F C47F C46F 114(3) . . ?
O40F C48F C47F 107(3) . . ?
C43F O39F C47F 112(3) . . ?
C34G O1G C1G 120(3) . . ?
C2G C1G O1G 107(2) . . ?
C2G C1G C5G 117(2) . . ?
O1G C1G C5G 108(2) . . ?
O2G C2G C1G 119(3) . . ?
O2G C2G C3G 107(2) . . ?
C1G C2G C3G 110(2) . . ?
O3G C3G C4G 115(3) . . ?
O3G C3G C2G 103(2) . . ?
C4G C3G C2G 106(2) . . ?
O6G C4G C3G 122(3) . . ?
O6G C4G O4G 109.2(17) . . ?
C3G C4G O4G 111.0(16) . . ?
O4G C5G C6G 103(2) . . ?
O4G C5G C1G 105.5(14) . . ?
C6G C5G C1G 116(3) . . ?
O5G C6G C5G 114(3) . . ?
C5G O4G C4G 107.9(14) . . ?
C4G O6G C7G 121(3) . . ?
C8G C7G O6G 105(2) . . ?
C8G C7G C11G 115(2) . . ?
O6G C7G C11G 104(2) . . ?
O7G C8G C7G 115(3) . . ?
O7G C8G C9G 109(2) . . ?
C7G C8G C9G 112(2) . . ?
O8G C9G C10G 121(3) . . ?
O8G C9G C8G 107(2) . . ?
C10G C9G C8G 106(2) . . ?
O11G C10G C9G 118(4) . . ?
O11G C10G O9G 119(4) . . ?
C9G C10G O9G 106(2) . . ?
O9G C11G C12G 106(2) . . ?
O9G C11G C7G 93(2) . . ?
C12G C11G C7G 114(3) . . ?
O10G C12G C11G 114(3) . . ?
C11G O9G C10G 107(3) . . ?
C10G O11G C13G 125(4) . . ?
C14G C13G O11G 105(2) . . ?
C14G C13G C17G 115(2) . . ?
O11G C13G C17G 104(2) . . ?
O12G C14G C13G 117(3) . . ?
O12G C14G C15G 111(3) . . ?
C13G C14G C15G 113(2) . . ?
O13G C15G C16G 118(3) . . ?
O13G C15G C14G 104(2) . . ?
C16G C15G C14G 104(2) . . ?
O16G C16G C15G 116(4) . . ?
O16G C16G O14G 120(3) . . ?
C15G C16G O14G 107(2) . . ?
O14G C17G C18G 103(2) . . ?
O14G C17G C13G 91(2) . . ?
C18G C17G C13G 113(3) . . ?
O15G C18G C17G 109(2) . . ?
C17G O14G C16G 106(3) . . ?
C16G O16G C19G 123(4) . . ?
C20G C19G O16G 105(2) . . ?
C20G C19G C23G 116(3) . . ?
O16G C19G C23G 104(2) . . ?
O17G C20G C19G 119(3) . . ?
O17G C20G C21G 113.3(17) . . ?
C19G C20G C21G 113(2) . . ?
O18G C21G C22G 115.3(17) . . ?
O18G C21G C20G 111.0(16) . . ?
C22G C21G C20G 104(2) . . ?
O21G C22G C21G 115(3) . . ?
O21G C22G O19G 117(3) . . ?
C21G C22G O19G 107(2) . . ?
O19G C23G C24G 101(2) . . ?
O19G C23G C19G 91(2) . . ?
C24G C23G C19G 113(3) . . ?
O20G C24G C23G 109(2) . . ?
C23G O19G C22G 108(3) . . ?
C22G O21G C25G 121(4) . . ?
C26G C25G O21G 104(2) . . ?
C26G C25G C29G 121(2) . . ?
O21G C25G C29G 109(2) . . ?
O22G C26G C25G 118(3) . . ?
O22G C26G C27G 108(2) . . ?
C25G C26G C27G 112(2) . . ?
O23G C27G C28G 122(3) . . ?
O23G C27G C26G 105(2) . . ?
C28G C27G C26G 106(2) . . ?
O26G C28G C27G 115(4) . . ?
O26G C28G O24G 114(3) . . ?
C27G C28G O24G 108(2) . . ?
O24G C29G C30G 105(2) . . ?
O24G C29G C25G 95(2) . . ?
C30G C29G C25G 122(3) . . ?
O25G C30G C29G 114(3) . . ?
C29G O24G C28G 112.9(17) . . ?
C28G O26G C31G 119(3) . . ?
O26G C31G C32G 103(2) . . ?
O26G C31G C35G 105(2) . . ?
C32G C31G C35G 108.6(13) . . ?
O27G C32G C31G 117(3) . . ?
O27G C32G C33G 105(2) . . ?
C31G C32G C33G 114(2) . . ?
O28G C33G C34G 121(3) . . ?
O28G C33G C32G 103(2) . . ?
C34G C33G C32G 107(2) . . ?
O1G C34G C33G 113(4) . . ?
O1G C34G O29G 112(3) . . ?
C33G C34G O29G 106(2) . . ?
O29G C35G C36G 105(2) . . ?
O29G C35G C31G 98(2) . . ?
C36G C35G C31G 107.1(13) . . ?
O30G C36G C35G 109.9(16) . . ?
C35G O29G C34G 114.0(17) . . ?
O6W Na1 O5W 96.0(19) . . ?
O6W Na1 O3W 85.8(19) . . ?
O5W Na1 O3W 93.0(19) . . ?
O6W Na1 O1W 171(2) . . ?
O5W Na1 O1W 84.9(19) . . ?
O3W Na1 O1W 85(2) . . ?
O6W Na1 O2W 93(2) . . ?
O5W Na1 O2W 171(2) . . ?
O3W Na1 O2W 91(2) . . ?
O1W Na1 O2W 86.7(19) . . ?
O6W Na1 O4W 99.2(18) . . ?
O5W Na1 O4W 91.8(18) . . ?
O3W Na1 O4W 173(2) . . ?
O1W Na1 O4W 90.1(18) . . ?
O2W Na1 O4W 83.9(19) . . ?
O6W Na1 Na2 129.5(15) . . ?
O5W Na1 Na2 74.2(14) . . ?
O3W Na1 Na2 142.8(16) . . ?
O1W Na1 Na2 59.7(15) . . ?
O2W Na1 Na2 97.8(15) . . ?
O4W Na1 Na2 34.5(9) . . ?
O6W Na1 Na4 38.0(14) . . ?
O5W Na1 Na4 127.2(15) . . ?
O3W Na1 Na4 103.8(15) . . ?
O1W Na1 Na4 145.2(16) . . ?
O2W Na1 Na4 60.0(14) . . ?
O4W Na1 Na4 77.5(11) . . ?
Na2 Na1 Na4 111.8(8) . . ?
O6W Na1 Na3 75.7(15) . . ?
O5W Na1 Na3 41.3(13) . . ?
O3W Na1 Na3 56.3(15) . . ?
O1W Na1 Na3 99.4(16) . . ?
O2W Na1 Na3 145.2(16) . . ?
O4W Na1 Na3 130.0(14) . . ?
Na2 Na1 Na3 114.9(9) . . ?
Na4 Na1 Na3 113.6(8) . . ?
O4W Na2 O7W 136(2) . . ?
O4W Na2 O8 116.5(18) . . ?
O7W Na2 O8 71.7(15) . . ?
O4W Na2 Na1 32.2(12) . . ?
O7W Na2 Na1 111.2(15) . . ?
O8 Na2 Na1 91.8(12) . . ?
O8W Na3 O20 78.7(18) . . ?
O8W Na3 O5W 129(2) . . ?
O20 Na3 O5W 111.8(17) . . ?
O8W Na3 Na1 105.4(18) . . ?
O20 Na3 Na1 89.0(12) . . ?
O5W Na3 Na1 30.8(10) . . ?
O6W Na4 O36 118.4(17) . . ?
O6W Na4 Na1 29.6(11) . . ?
O36 Na4 Na1 93.6(12) . . ?
O10W Na5 O9W 124(2) . . ?
O10W Na5 O22 99.7(18) . . ?
O9W Na5 O22 133.9(18) . . ?
O11W Na6 O14W 176(2) . . ?
O11W Na6 O13W 83(2) . . ?
O14W Na6 O13W 96(2) . . ?
O11W Na6 O15W 91(2) . . ?
O14W Na6 O15W 84.4(19) . . ?
O13W Na6 O15W 98(2) . . ?
O11W Na6 O16W 89(2) . . ?
O14W Na6 O16W 92(2) . . ?
O13W Na6 O16W 171(2) . . ?
O15W Na6 O16W 87(2) . . ?
O11W Na6 O12W 94(2) . . ?
O14W Na6 O12W 90(2) . . ?
O13W Na6 O12W 92(2) . . ?
O15W Na6 O12W 169(2) . . ?
O16W Na6 O12W 83(2) . . ?
O19W Na7 O17W 92(4) . . ?
O19W Na7 O21W 128(4) . . ?
O17W Na7 O21W 96(3) . . ?
O19W Na7 O18W 122(4) . . ?
O17W Na7 O18W 87(3) . . ?
O21W Na7 O18W 110(4) . . ?
O19W Na7 O20W 80(3) . . ?
O17W Na7 O20W 172(4) . . ?
O21W Na7 O20W 87(3) . . ?
O18W Na7 O20W 98(3) . . ?
Na1 O4W Na2 113(2) . . ?
Na1 O5W Na3 107.9(19) . . ?
Na1 O6W Na4 112(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 S1 C1 C2 85(4) . . . . ?
Au1 S1 C1 C2 -39(4) . . . . ?
Co1 S1 C1 C3 -149(3) . . . . ?
Au1 S1 C1 C3 87(3) . . . . ?
Co1 S1 C1 C4 -38(3) . . . . ?
Au1 S1 C1 C4 -161(2) . . . . ?
C2 C1 C4 N1 -66(5) . . . . ?
C3 C1 C4 N1 165(4) . . . . ?
S1 C1 C4 N1 60(4) . . . . ?
C2 C1 C4 C5 55(6) . . . . ?
C3 C1 C4 C5 -74(5) . . . . ?
S1 C1 C4 C5 -179(3) . . . . ?
N1 C4 C5 O2 32(6) . . . . ?
C1 C4 C5 O2 -90(5) . . . . ?
N1 C4 C5 O1 -147(4) . . . . ?
C1 C4 C5 O1 91(5) . . . . ?
C1 C4 N1 Co1 -56(4) . . . . ?
C5 C4 N1 Co1 -179(3) . . . . ?
Co1 S2 C6 C7 -156(3) . . . . ?
Au2 S2 C6 C7 79(3) . . . . ?
Co1 S2 C6 C9 -26(3) . . . . ?
Au2 S2 C6 C9 -150(2) . . . . ?
Co1 S2 C6 C8 85(3) . . . . ?
Au2 S2 C6 C8 -40(3) . . . . ?
Co1 N2 C9 C6 -48(5) . . . . ?
Co1 N2 C9 C10 178(3) . . . . ?
C7 C6 C9 N2 168(4) . . . . ?
C8 C6 C9 N2 -69(5) . . . . ?
S2 C6 C9 N2 47(4) . . . . ?
C7 C6 C9 C10 -54(6) . . . . ?
C8 C6 C9 C10 69(4) . . . . ?
S2 C6 C9 C10 -175(3) . . . . ?
N2 C9 C10 O3 -157(4) . . . . ?
C6 C9 C10 O3 66(6) . . . . ?
N2 C9 C10 O4 18(6) . . . . ?
C6 C9 C10 O4 -119(4) . . . . ?
Co1 N3 C14 C11 -59(4) . . . . ?
Co1 N3 C14 C15 -176(3) . . . . ?
C13 C11 C14 N3 -65(5) . . . . ?
C12 C11 C14 N3 163(3) . . . . ?
S3 C11 C14 N3 58(4) . . . . ?
C13 C11 C14 C15 56(6) . . . . ?
C12 C11 C14 C15 -76(5) . . . . ?
S3 C11 C14 C15 179(3) . . . . ?
N3 C14 C15 O6 -151(4) . . . . ?
C11 C14 C15 O6 95(5) . . . . ?
N3 C14 C15 O5 31(6) . . . . ?
C11 C14 C15 O5 -83(5) . . . . ?
C18 C16 C19 N4 160(4) . . . . ?
C17 C16 C19 N4 -59(5) . . . . ?
S4 C16 C19 N4 53(4) . . . . ?
C18 C16 C19 C20 -77(5) . . . . ?
C17 C16 C19 C20 64(5) . . . . ?
S4 C16 C19 C20 176(3) . . . . ?
N4 C19 C20 O7 -150(4) . . . . ?
C16 C19 C20 O7 91(5) . . . . ?
N4 C19 C20 O8 29(6) . . . . ?
C16 C19 C20 O8 -90(5) . . . . ?
O7 C20 O8 Na2 174(4) . . . . ?
C19 C20 O8 Na2 -5(7) . . . . ?
C20 C19 N4 Co2 -176(3) . . . . ?
C16 C19 N4 Co2 -59(4) . . . . ?
N5 Co2 N4 C19 -59(3) . . . . ?
N6 Co2 N4 C19 -152(3) . . . . ?
S6 Co2 N4 C19 125(3) . . . . ?
S4 Co2 N4 C19 28(3) . . . . ?
Co2 S5 C21 C22 -151(3) . . . . ?
Au2 S5 C21 C22 85(3) . . . . ?
Co2 S5 C21 C24 -28(3) . . . . ?
Au2 S5 C21 C24 -152(3) . . . . ?
Co2 S5 C21 C23 87(3) . . . . ?
Au2 S5 C21 C23 -36(3) . . . . ?
Co2 N5 C24 C21 -53(5) . . . . ?
Co2 N5 C24 C25 166(4) . . . . ?
C22 C21 C24 N5 166(4) . . . . ?
C23 C21 C24 N5 -71(5) . . . . ?
S5 C21 C24 N5 50(5) . . . . ?
C22 C21 C24 C25 -49(6) . . . . ?
C23 C21 C24 C25 74(5) . . . . ?
S5 C21 C24 C25 -166(4) . . . . ?
N5 C24 C25 O10 -171(6) . . . . ?
C21 C24 C25 O10 49(8) . . . . ?
N5 C24 C25 O9 31(7) . . . . ?
C21 C24 C25 O9 -109(5) . . . . ?
Co2 S6 C26 C28 -149(3) . . . . ?
Au3 S6 C26 C28 89(3) . . . . ?
Co2 S6 C26 C27 87(4) . . . . ?
Au3 S6 C26 C27 -35(4) . . . . ?
Co2 S6 C26 C29 -35(3) . . . . ?
Au3 S6 C26 C29 -158(3) . . . . ?
Co2 N6 C29 C30 171(3) . . . . ?
Co2 N6 C29 C26 -50(4) . . . . ?
C28 C26 C29 N6 170(4) . . . . ?
C27 C26 C29 N6 -81(4) . . . . ?
S6 C26 C29 N6 54(4) . . . . ?
C28 C26 C29 C30 -58(6) . . . . ?
C27 C26 C29 C30 51(6) . . . . ?
S6 C26 C29 C30 -174(4) . . . . ?
N6 C29 C30 O11 41(6) . . . . ?
C26 C29 C30 O11 -88(6) . . . . ?
N6 C29 C30 O12 -150(4) . . . . ?
C26 C29 C30 O12 82(6) . . . . ?
Co3 N7 C34 C31 -54(5) . . . . ?
Co3 N7 C34 C35 177(3) . . . . ?
C32 C31 C34 N7 165(4) . . . . ?
C33 C31 C34 N7 -66(5) . . . . ?
S7 C31 C34 N7 57(5) . . . . ?
C32 C31 C34 C35 -65(5) . . . . ?
C33 C31 C34 C35 64(5) . . . . ?
S7 C31 C34 C35 -173(3) . . . . ?
N7 C34 C35 O14 31(6) . . . . ?
C31 C34 C35 O14 -101(5) . . . . ?
N7 C34 C35 O13 -142(4) . . . . ?
C31 C34 C35 O13 86(5) . . . . ?
Co3 S8 C36 C39 -29(4) . . . . ?
Au5 S8 C36 C39 -151(3) . . . . ?
Co3 S8 C36 C37 -161(3) . . . . ?
Au5 S8 C36 C37 77(4) . . . . ?
Co3 S8 C36 C38 87(3) . . . . ?
Au5 S8 C36 C38 -35(3) . . . . ?
C37 C36 C39 N9 170(5) . . . . ?
C38 C36 C39 N9 -73(5) . . . . ?
S8 C36 C39 N9 46(5) . . . . ?
C37 C36 C39 C40 -48(7) . . . . ?
C38 C36 C39 C40 69(5) . . . . ?
S8 C36 C39 C40 -173(4) . . . . ?
Co3 N9 C39 C36 -42(5) . . . . ?
Co3 N9 C39 C40 176(3) . . . . ?
C36 C39 C40 O15 59(7) . . . . ?
N9 C39 C40 O15 -161(4) . . . . ?
C36 C39 C40 O16 -115(5) . . . . ?
N9 C39 C40 O16 26(6) . . . . ?
Co3 S9 C41 C43 -142(3) . . . . ?
Au6 S9 C41 C43 100(4) . . . . ?
Co3 S9 C41 C42 82(4) . . . . ?
Au6 S9 C41 C42 -36(4) . . . . ?
Co3 S9 C41 C44 -34(3) . . . . ?
Au6 S9 C41 C44 -152(3) . . . . ?
Co3 N8 C44 C45 -171(3) . . . . ?
Co3 N8 C44 C41 -56(4) . . . . ?
C43 C41 C44 N8 171(4) . . . . ?
C42 C41 C44 N8 -68(5) . . . . ?
S9 C41 C44 N8 56(4) . . . . ?
C43 C41 C44 C45 -75(5) . . . . ?
C42 C41 C44 C45 45(5) . . . . ?
S9 C41 C44 C45 169(3) . . . . ?
N8 C44 C45 O17 21(8) . . . . ?
C41 C44 C45 O17 -92(6) . . . . ?
N8 C44 C45 O18 -143(4) . . . . ?
C41 C44 C45 O18 105(4) . . . . ?
N10 Co4 N11 C54 -161(4) . . . . ?
N12 Co4 N11 C54 -73(4) . . . . ?
S10 Co4 N11 C54 115(4) . . . . ?
S11 Co4 N11 C54 20(4) . . . . ?
Co4 S10 C46 C49 -30(3) . . . . ?
Au4 S10 C46 C49 -149(3) . . . . ?
Co4 S10 C46 C47 -149(3) . . . . ?
Au4 S10 C46 C47 93(3) . . . . ?
Co4 S10 C46 C48 83(3) . . . . ?
Au4 S10 C46 C48 -36(4) . . . . ?
Co4 N10 C49 C46 -55(5) . . . . ?
Co4 N10 C49 C50 -177(3) . . . . ?
C47 C46 C49 N10 172(4) . . . . ?
C48 C46 C49 N10 -65(5) . . . . ?
S10 C46 C49 N10 55(5) . . . . ?
C47 C46 C49 C50 -65(5) . . . . ?
C48 C46 C49 C50 58(5) . . . . ?
S10 C46 C49 C50 178(4) . . . . ?
Na3 O20 C50 O19 176(4) . . . . ?
Na3 O20 C50 C49 3(8) . . . . ?
N10 C49 C50 O20 31(7) . . . . ?
C46 C49 C50 O20 -95(6) . . . . ?
N10 C49 C50 O19 -142(5) . . . . ?
C46 C49 C50 O19 92(6) . . . . ?
Co4 S11 C51 C54 -31(3) . . . . ?
Au5 S11 C51 C54 -152(3) . . . . ?
Co4 S11 C51 C53 -160(3) . . . . ?
Au5 S11 C51 C53 79(3) . . . . ?
Co4 S11 C51 C52 88(3) . . . . ?
Au5 S11 C51 C52 -34(3) . . . . ?
Co4 N11 C54 C51 -49(5) . . . . ?
Co4 N11 C54 C55 179(4) . . . . ?
C53 C51 C54 N11 172(4) . . . . ?
C52 C51 C54 N11 -70(5) . . . . ?
S11 C51 C54 N11 49(5) . . . . ?
C53 C51 C54 C55 -51(6) . . . . ?
C52 C51 C54 C55 67(5) . . . . ?
S11 C51 C54 C55 -174(3) . . . . ?
N11 C54 C55 O22 18(7) . . . . ?
C51 C54 C55 O22 -114(5) . . . . ?
N11 C54 C55 O21 -160(5) . . . . ?
C51 C54 C55 O21 67(6) . . . . ?
O21 C55 O22 Na5 -163(5) . . . . ?
C54 C55 O22 Na5 18(8) . . . . ?
Co4 S12 C56 C58 87(4) . . . . ?
Au6 S12 C56 C58 -37(4) . . . . ?
Co4 S12 C56 C57 -151(3) . . . . ?
Au6 S12 C56 C57 85(3) . . . . ?
Co4 S12 C56 C59 -32(3) . . . . ?
Au6 S12 C56 C59 -156(2) . . . . ?
Co4 N12 C59 C60 180(3) . . . . ?
Co4 N12 C59 C56 -53(5) . . . . ?
C58 C56 C59 N12 -70(5) . . . . ?
C57 C56 C59 N12 167(4) . . . . ?
S12 C56 C59 N12 55(4) . . . . ?
C58 C56 C59 C60 61(5) . . . . ?
C57 C56 C59 C60 -61(5) . . . . ?
S12 C56 C59 C60 -174(3) . . . . ?
N12 C59 C60 O24 -147(5) . . . . ?
C56 C59 C60 O24 86(5) . . . . ?
N12 C59 C60 O23 33(7) . . . . ?
C56 C59 C60 O23 -94(5) . . . . ?
Co5 S13 C61 C62 80(3) . . . . ?
Au7 S13 C61 C62 -39(4) . . . . ?
Co5 S13 C61 C63 -142(3) . . . . ?
Au7 S13 C61 C63 99(3) . . . . ?
Co5 S13 C61 C64 -29(3) . . . . ?
Au7 S13 C61 C64 -148(3) . . . . ?
Co5 N13 C64 C65 -178(3) . . . . ?
Co5 N13 C64 C61 -52(5) . . . . ?
C62 C61 C64 N13 -68(5) . . . . ?
C63 C61 C64 N13 162(4) . . . . ?
S13 C61 C64 N13 50(4) . . . . ?
C62 C61 C64 C65 58(5) . . . . ?
C63 C61 C64 C65 -73(5) . . . . ?
S13 C61 C64 C65 175(3) . . . . ?
N13 C64 C65 O25 -145(4) . . . . ?
C61 C64 C65 O25 89(5) . . . . ?
N13 C64 C65 O26 42(6) . . . . ?
C61 C64 C65 O26 -84(5) . . . . ?
Au8 S14 C66 C67 78(4) . . . . ?
Co5 S14 C66 C67 -155(3) . . . . ?
Au8 S14 C66 C69 -150(3) . . . . ?
Co5 S14 C66 C69 -24(4) . . . . ?
Au8 S14 C66 C68 -39(3) . . . . ?
Co5 S14 C66 C68 88(2) . . . . ?
C67 C66 C69 N14 172(4) . . . . ?
S14 C66 C69 N14 39(5) . . . . ?
C68 C66 C69 N14 -75(4) . . . . ?
C67 C66 C69 C70 -45(7) . . . . ?
S14 C66 C69 C70 -177(4) . . . . ?
C68 C66 C69 C70 68(6) . . . . ?
Co5 N14 C69 C66 -40(5) . . . . ?
Co5 N14 C69 C70 172(3) . . . . ?
C66 C69 C70 O28 -104(6) . . . . ?
N14 C69 C70 O28 39(7) . . . . ?
C66 C69 C70 O27 54(7) . . . . ?
N14 C69 C70 O27 -163(4) . . . . ?
C73 C71 C74 N15 -69(5) . . . . ?
C72 C71 C74 N15 166(4) . . . . ?
S15 C71 C74 N15 62(4) . . . . ?
C73 C71 C74 C75 47(6) . . . . ?
C72 C71 C74 C75 -77(5) . . . . ?
S15 C71 C74 C75 178(3) . . . . ?
Co5 N15 C74 C71 -59(4) . . . . ?
Co5 N15 C74 C75 179(3) . . . . ?
C71 C74 C75 O30 -78(6) . . . . ?
N15 C74 C75 O30 37(6) . . . . ?
C71 C74 C75 O29 92(5) . . . . ?
N15 C74 C75 O29 -152(4) . . . . ?
Co6 S16 C76 C77 84(4) . . . . ?
Au7 S16 C76 C77 -38(4) . . . . ?
Co6 S16 C76 C78 -151(3) . . . . ?
Au7 S16 C76 C78 87(3) . . . . ?
Co6 S16 C76 C79 -35(3) . . . . ?
Au7 S16 C76 C79 -157(3) . . . . ?
Co6 N16 C79 C80 -178(3) . . . . ?
Co6 N16 C79 C76 -50(5) . . . . ?
C77 C76 C79 N16 -67(5) . . . . ?
C78 C76 C79 N16 163(4) . . . . ?
S16 C76 C79 N16 53(4) . . . . ?
C77 C76 C79 C80 65(6) . . . . ?
C78 C76 C79 C80 -66(5) . . . . ?
S16 C76 C79 C80 -175(3) . . . . ?
N16 C79 C80 O32 35(6) . . . . ?
C76 C79 C80 O32 -93(5) . . . . ?
N16 C79 C80 O31 -146(4) . . . . ?
C76 C79 C80 O31 86(5) . . . . ?
Co6 S17 C81 C84 -35(4) . . . . ?
Au8 S17 C81 C84 -159(3) . . . . ?
Co6 S17 C81 C83 -154(3) . . . . ?
Au8 S17 C81 C83 83(3) . . . . ?
Co6 S17 C81 C82 90(3) . . . . ?
Au8 S17 C81 C82 -33(4) . . . . ?
C83 C81 C84 N17 164(4) . . . . ?
C82 C81 C84 N17 -74(5) . . . . ?
S17 C81 C84 N17 51(5) . . . . ?
C83 C81 C84 C85 -63(6) . . . . ?
C82 C81 C84 C85 59(5) . . . . ?
S17 C81 C84 C85 -176(3) . . . . ?
Co6 N17 C84 C81 -45(5) . . . . ?
Co6 N17 C84 C85 -173(3) . . . . ?
C81 C84 C85 O33 85(6) . . . . ?
N17 C84 C85 O33 -148(5) . . . . ?
C81 C84 C85 O34 -112(5) . . . . ?
N17 C84 C85 O34 15(6) . . . . ?
Co6 S18 C86 C87 -148(3) . . . . ?
Au9 S18 C86 C87 93(3) . . . . ?
Co6 S18 C86 C89 -29(3) . . . . ?
Au9 S18 C86 C89 -148(3) . . . . ?
Co6 S18 C86 C88 86(3) . . . . ?
Au9 S18 C86 C88 -33(4) . . . . ?
C87 C86 C89 C90 -65(6) . . . . ?
C88 C86 C89 C90 59(6) . . . . ?
S18 C86 C89 C90 178(4) . . . . ?
C87 C86 C89 N18 167(4) . . . . ?
C88 C86 C89 N18 -69(4) . . . . ?
S18 C86 C89 N18 50(4) . . . . ?
Co6 N18 C89 C90 176(4) . . . . ?
Co6 N18 C89 C86 -52(4) . . . . ?
C86 C89 C90 O36 -83(6) . . . . ?
N18 C89 C90 O36 44(7) . . . . ?
C86 C89 C90 O35 87(6) . . . . ?
N18 C89 C90 O35 -147(4) . . . . ?
O35 C90 O36 Na4 168(3) . . . . ?
C89 C90 O36 Na4 -22(7) . . . . ?
C46A O1A C1A O4A 115(3) . . . . ?
C46A O1A C1A C2A -121(3) . . . . ?
O4A C1A C2A O2A -162(4) . . . . ?
O1A C1A C2A O2A 77(5) . . . . ?
O4A C1A C2A C3A 46(4) . . . . ?
O1A C1A C2A C3A -75(4) . . . . ?
O2A C2A C3A O3A 30(5) . . . . ?
C1A C2A C3A O3A -174(3) . . . . ?
O2A C2A C3A C4A 158(4) . . . . ?
C1A C2A C3A C4A -46(4) . . . . ?
O3A C3A C4A O6A -68(4) . . . . ?
C2A C3A C4A O6A 165(3) . . . . ?
O3A C3A C4A C5A -179(3) . . . . ?
C2A C3A C4A C5A 54(4) . . . . ?
C3A C4A C5A O4A -66(4) . . . . ?
O6A C4A C5A O4A 179(3) . . . . ?
C3A C4A C5A C6A -179(3) . . . . ?
O6A C4A C5A C6A 67(4) . . . . ?
O4A C5A C6A O5A 72(4) . . . . ?
C4A C5A C6A O5A -173(4) . . . . ?
C6A C5A O4A C1A -178(3) . . . . ?
C4A C5A O4A C1A 65(3) . . . . ?
C2A C1A O4A C5A -56(4) . . . . ?
O1A C1A O4A C5A 65(3) . . . . ?
C3A C4A O6A C7A 108(3) . . . . ?
C5A C4A O6A C7A -137(3) . . . . ?
C4A O6A C7A C8A -123(3) . . . . ?
C4A O6A C7A O9A 114(3) . . . . ?
O6A C7A C8A O7A 50(4) . . . . ?
O9A C7A C8A O7A -178(4) . . . . ?
O6A C7A C8A C9A -80(3) . . . . ?
O9A C7A C8A C9A 52(3) . . . . ?
O7A C8A C9A O8A 44(5) . . . . ?
C7A C8A C9A O8A -179(3) . . . . ?
O7A C8A C9A C10A 173(4) . . . . ?
C7A C8A C9A C10A -50(4) . . . . ?
O8A C9A C10A O11A -62(5) . . . . ?
C8A C9A C10A O11A 175(4) . . . . ?
O8A C9A C10A C11A -173(4) . . . . ?
C8A C9A C10A C11A 63(3) . . . . ?
C9A C10A C11A O9A -88(2) . . . . ?
O11A C10A C11A O9A 166(3) . . . . ?
C9A C10A C11A C12A -175(3) . . . . ?
O11A C10A C11A C12A 79(3) . . . . ?
O9A C11A C12A O10A -46(4) . . . . ?
C10A C11A C12A O10A 41(4) . . . . ?
C12A C11A O9A C7A -159(2) . . . . ?
C10A C11A O9A C7A 96.7(19) . . . . ?
O6A C7A O9A C11A 42(3) . . . . ?
C8A C7A O9A C11A -83(2) . . . . ?
C9A C10A O11A C13A 135(3) . . . . ?
C11A C10A O11A C13A -125(3) . . . . ?
C10A O11A C13A O14A 108(4) . . . . ?
C10A O11A C13A C14A -133(3) . . . . ?
O14A C13A C14A O12A -169(5) . . . . ?
O11A C13A C14A O12A 72(5) . . . . ?
O14A C13A C14A C15A 59(4) . . . . ?
O11A C13A C14A C15A -60(4) . . . . ?
O12A C14A C15A O13A 32(5) . . . . ?
C13A C14A C15A O13A 171(4) . . . . ?
O12A C14A C15A C16A 159(4) . . . . ?
C13A C14A C15A C16A -62(4) . . . . ?
O13A C15A C16A O16A -65(6) . . . . ?
C14A C15A C16A O16A 179(5) . . . . ?
O13A C15A C16A C17A 177(4) . . . . ?
C14A C15A C16A C17A 61(5) . . . . ?
O16A C16A C17A O14A -180(5) . . . . ?
C15A C16A C17A O14A -59(5) . . . . ?
O16A C16A C17A C18A 67(5) . . . . ?
C15A C16A C17A C18A -173(4) . . . . ?
O14A C17A C18A O15A 75(6) . . . . ?
C16A C17A C18A O15A -168(5) . . . . ?
C18A C17A O14A C13A 175(3) . . . . ?
C16A C17A O14A C13A 56(5) . . . . ?
O11A C13A O14A C17A 59(5) . . . . ?
C14A C13A O14A C17A -57(4) . . . . ?
C15A C16A O16A C19A 134(4) . . . . ?
C17A C16A O16A C19A -107(4) . . . . ?
C16A O16A C19A O19A 120(4) . . . . ?
C16A O16A C19A C20A -121(4) . . . . ?
O19A C19A C20A O17A -178(4) . . . . ?
O16A C19A C20A O17A 65(4) . . . . ?
O19A C19A C20A C21A 57(4) . . . . ?
O16A C19A C20A C21A -60(4) . . . . ?
O17A C20A C21A O18A 53(4) . . . . ?
C19A C20A C21A O18A -176(4) . . . . ?
O17A C20A C21A C22A 175(4) . . . . ?
C19A C20A C21A C22A -54(4) . . . . ?
O18A C21A C22A O21A -72(6) . . . . ?
C20A C21A C22A O21A 175(5) . . . . ?
O18A C21A C22A C23A 166(4) . . . . ?
C20A C21A C22A C23A 53(5) . . . . ?
O21A C22A C23A O19A 174(5) . . . . ?
C21A C22A C23A O19A -58(5) . . . . ?
O21A C22A C23A C24A 58(6) . . . . ?
C21A C22A C23A C24A -174(4) . . . . ?
O19A C23A C24A O20A -71(5) . . . . ?
C22A C23A C24A O20A 49(6) . . . . ?
C24A C23A O19A C19A -178(3) . . . . ?
C22A C23A O19A C19A 61(4) . . . . ?
C20A C19A O19A C23A -61(4) . . . . ?
O16A C19A O19A C23A 54(4) . . . . ?
C21A C22A O21A C25A 105(6) . . . . ?
C23A C22A O21A C25A -131(5) . . . . ?
C22A O21A C25A O24A 115(5) . . . . ?
C22A O21A C25A C26A -122(5) . . . . ?
O24A C25A C26A O22A -161(6) . . . . ?
O21A C25A C26A O22A 75(6) . . . . ?
O24A C25A C26A C27A 47(5) . . . . ?
O21A C25A C26A C27A -77(5) . . . . ?
O22A C26A C27A O23A 35(6) . . . . ?
C25A C26A C27A O23A -169(4) . . . . ?
O22A C26A C27A C28A 159(5) . . . . ?
C25A C26A C27A C28A -45(5) . . . . ?
O23A C27A C28A O26A -64(6) . . . . ?
C26A C27A C28A O26A 176(5) . . . . ?
O23A C27A C28A C29A 171(4) . . . . ?
C26A C27A C28A C29A 51(5) . . . . ?
O26A C28A C29A O24A 178(5) . . . . ?
C27A C28A C29A O24A -63(4) . . . . ?
O26A C28A C29A C30A 68(6) . . . . ?
C27A C28A C29A C30A -173(4) . . . . ?
O24A C29A C30A O25A -81(5) . . . . ?
C28A C29A C30A O25A 31(5) . . . . ?
C30A C29A O24A C25A -180(3) . . . . ?
C28A C29A O24A C25A 67(4) . . . . ?
C26A C25A O24A C29A -60(4) . . . . ?
O21A C25A O24A C29A 63(5) . . . . ?
C27A C28A O26A C31A 141(4) . . . . ?
C29A C28A O26A C31A -98(6) . . . . ?
C28A O26A C31A O29A 126(5) . . . . ?
C28A O26A C31A C32A -110(5) . . . . ?
O29A C31A C32A O27A 179(4) . . . . ?
O26A C31A C32A O27A 56(4) . . . . ?
O29A C31A C32A C33A 49(4) . . . . ?
O26A C31A C32A C33A -74(4) . . . . ?
O27A C32A C33A O28A 54(5) . . . . ?
C31A C32A C33A O28A -174(4) . . . . ?
O27A C32A C33A C34A 177(4) . . . . ?
C31A C32A C33A C34A -51(4) . . . . ?
O28A C33A C34A C35A 178(4) . . . . ?
C32A C33A C34A C35A 57(4) . . . . ?
O28A C33A C34A O31A -69(4) . . . . ?
C32A C33A C34A O31A 171(3) . . . . ?
C33A C34A C35A O29A -62(4) . . . . ?
O31A C34A C35A O29A -171(3) . . . . ?
C33A C34A C35A C36A -177(4) . . . . ?
O31A C34A C35A C36A 74(4) . . . . ?
O29A C35A C36A O30A -66(5) . . . . ?
C34A C35A C36A O30A 50(5) . . . . ?
C36A C35A O29A C31A -177(3) . . . . ?
C34A C35A O29A C31A 61(4) . . . . ?
O26A C31A O29A C35A 63(4) . . . . ?
C32A C31A O29A C35A -56(4) . . . . ?
C33A C34A O31A C37A 117(3) . . . . ?
C35A C34A O31A C37A -129(3) . . . . ?
C34A O31A C37A O34A 85(3) . . . . ?
C34A O31A C37A C38A -150(3) . . . . ?
O34A C37A C38A O32A 176(3) . . . . ?
O31A C37A C38A O32A 54(4) . . . . ?
O34A C37A C38A C39A 47(4) . . . . ?
O31A C37A C38A C39A -75(4) . . . . ?
O32A C38A C39A O33A 50(4) . . . . ?
C37A C38A C39A O33A -177(3) . . . . ?
O32A C38A C39A C40A 178(3) . . . . ?
C37A C38A C39A C40A -48(4) . . . . ?
O33A C39A C40A O36A -69(4) . . . . ?
C38A C39A C40A O36A 171(3) . . . . ?
O33A C39A C40A C41A 176(3) . . . . ?
C38A C39A C40A C41A 57(4) . . . . ?
C39A C40A C41A O34A -66(4) . . . . ?
O36A C40A C41A O34A -179(3) . . . . ?
C39A C40A C41A C42A 176(3) . . . . ?
O36A C40A C41A C42A 64(4) . . . . ?
O34A C41A C42A O35A -77(4) . . . . ?
C40A C41A C42A O35A 41(5) . . . . ?
C42A C41A O34A C37A -172(3) . . . . ?
C40A C41A O34A C37A 65(3) . . . . ?
O31A C37A O34A C41A 64(4) . . . . ?
C38A C37A O34A C41A -58(4) . . . . ?
C39A C40A O36A C43A 135(3) . . . . ?
C41A C40A O36A C43A -110(3) . . . . ?
C40A O36A C43A O39A 114(3) . . . . ?
C40A O36A C43A C44A -127(3) . . . . ?
O39A C43A C44A O37A -170(3) . . . . ?
O36A C43A C44A O37A 73(4) . . . . ?
O39A C43A C44A C45A 59(3) . . . . ?
O36A C43A C44A C45A -58(3) . . . . ?
O37A C44A C45A O38A 47(4) . . . . ?
C43A C44A C45A O38A 180(3) . . . . ?
O37A C44A C45A C46A 170(3) . . . . ?
C43A C44A C45A C46A -57(3) . . . . ?
C1A O1A C46A C45A 131(3) . . . . ?
C1A O1A C46A C47A -107(3) . . . . ?
O38A C45A C46A O1A -66(4) . . . . ?
C44A C45A C46A O1A 177(3) . . . . ?
O38A C45A C46A C47A 171(3) . . . . ?
C44A C45A C46A C47A 55(4) . . . . ?
O1A C46A C47A O39A -178(3) . . . . ?
C45A C46A C47A O39A -58(4) . . . . ?
O1A C46A C47A C48A 69(4) . . . . ?
C45A C46A C47A C48A -171(3) . . . . ?
O39A C47A C48A O40A -54(4) . . . . ?
C46A C47A C48A O40A 64(5) . . . . ?
O36A C43A O39A C47A 56(3) . . . . ?
C44A C43A O39A C47A -61(3) . . . . ?
C48A C47A O39A C43A 179(3) . . . . ?
C46A C47A O39A C43A 59(3) . . . . ?
C46B O1B C1B O4B 86(3) . . . . ?
C46B O1B C1B C2B -153(3) . . . . ?
O4B C1B C2B O2B 177(3) . . . . ?
O1B C1B C2B O2B 55(4) . . . . ?
O4B C1B C2B C3B 53(3) . . . . ?
O1B C1B C2B C3B -69(3) . . . . ?
O2B C2B C3B O3B 55(4) . . . . ?
C1B C2B C3B O3B -177(3) . . . . ?
O2B C2B C3B C4B -180(3) . . . . ?
C1B C2B C3B C4B -52(4) . . . . ?
O3B C3B C4B O6B -62(5) . . . . ?
C2B C3B C4B O6B -177(3) . . . . ?
O3B C3B C4B C5B 171(3) . . . . ?
C2B C3B C4B C5B 55(4) . . . . ?
O6B C4B C5B O4B 172(3) . . . . ?
C3B C4B C5B O4B -63(4) . . . . ?
O6B C4B C5B C6B 55(5) . . . . ?
C3B C4B C5B C6B 180(3) . . . . ?
O4B C5B C6B O5B -69(4) . . . . ?
C4B C5B C6B O5B 50(5) . . . . ?
C6B C5B O4B C1B -171(2) . . . . ?
C4B C5B O4B C1B 65(3) . . . . ?
O1B C1B O4B C5B 58(3) . . . . ?
C2B C1B O4B C5B -61(3) . . . . ?
C3B C4B O6B C7B 135(3) . . . . ?
C5B C4B O6B C7B -102(4) . . . . ?
C4B O6B C7B O9B 113(3) . . . . ?
C4B O6B C7B C8B -128(3) . . . . ?
O9B C7B C8B O7B -171(3) . . . . ?
O6B C7B C8B O7B 70(4) . . . . ?
O9B C7B C8B C9B 59(3) . . . . ?
O6B C7B C8B C9B -60(3) . . . . ?
O7B C8B C9B O8B 40(4) . . . . ?
C7B C8B C9B O8B 174(3) . . . . ?
O7B C8B C9B C10B 168(3) . . . . ?
C7B C8B C9B C10B -58(4) . . . . ?
O8B C9B C10B O11B -71(5) . . . . ?
C8B C9B C10B O11B 173(3) . . . . ?
O8B C9B C10B C11B 173(4) . . . . ?
C8B C9B C10B C11B 56(4) . . . . ?
O11B C10B C11B O9B -177(3) . . . . ?
C9B C10B C11B O9B -60(4) . . . . ?
O11B C10B C11B C12B 73(4) . . . . ?
C9B C10B C11B C12B -169(3) . . . . ?
O9B C11B C12B O10B -59(4) . . . . ?
C10B C11B C12B O10B 56(5) . . . . ?
C12B C11B O9B C7B 179(3) . . . . ?
C10B C11B O9B C7B 62(3) . . . . ?
O6B C7B O9B C11B 55(3) . . . . ?
C8B C7B O9B C11B -63(3) . . . . ?
C9B C10B O11B C13B 132(3) . . . . ?
C11B C10B O11B C13B -112(3) . . . . ?
C10B O11B C13B O14B 118(3) . . . . ?
C10B O11B C13B C14B -120(3) . . . . ?
O14B C13B C14B O12B -175(4) . . . . ?
O11B C13B C14B O12B 66(5) . . . . ?
O14B C13B C14B C15B 43(4) . . . . ?
O11B C13B C14B C15B -75(4) . . . . ?
O12B C14B C15B O13B 39(5) . . . . ?
C13B C14B C15B O13B -174(3) . . . . ?
O12B C14B C15B C16B 164(4) . . . . ?
C13B C14B C15B C16B -49(4) . . . . ?
O13B C15B C16B O16B -69(4) . . . . ?
C14B C15B C16B O16B 170(4) . . . . ?
O13B C15B C16B C17B 178(4) . . . . ?
C14B C15B C16B C17B 57(4) . . . . ?
C15B C16B C17B O14B -64(4) . . . . ?
O16B C16B C17B O14B -174(3) . . . . ?
C15B C16B C17B C18B -179(4) . . . . ?
O16B C16B C17B C18B 71(4) . . . . ?
O14B C17B C18B O15B 67(5) . . . . ?
C16B C17B C18B O15B -176(4) . . . . ?
C18B C17B O14B C13B -180(3) . . . . ?
C16B C17B O14B C13B 60(4) . . . . ?
C14B C13B O14B C17B -50(4) . . . . ?
O11B C13B O14B C17B 71(4) . . . . ?
C15B C16B O16B C19B 118(3) . . . . ?
C17B C16B O16B C19B -129(3) . . . . ?
C16B O16B C19B O19B 102(4) . . . . ?
C16B O16B C19B C20B -137(3) . . . . ?
O19B C19B C20B O17B -165(5) . . . . ?
O16B C19B C20B O17B 73(6) . . . . ?
O19B C19B C20B C21B 53(4) . . . . ?
O16B C19B C20B C21B -69(4) . . . . ?
O17B C20B C21B O18B 42(5) . . . . ?
C19B C20B C21B O18B -169(4) . . . . ?
O17B C20B C21B C22B 162(5) . . . . ?
C19B C20B C21B C22B -50(4) . . . . ?
O18B C21B C22B O21B -70(6) . . . . ?
C20B C21B C22B O21B 178(5) . . . . ?
O18B C21B C22B C23B 158(4) . . . . ?
C20B C21B C22B C23B 47(5) . . . . ?
O21B C22B C23B O19B -180(5) . . . . ?
C21B C22B C23B O19B -51(5) . . . . ?
O21B C22B C23B C24B 65(6) . . . . ?
C21B C22B C23B C24B -166(4) . . . . ?
O19B C23B C24B O20B -49(6) . . . . ?
C22B C23B C24B O20B 71(6) . . . . ?
C22B C23B O19B C19B 56(5) . . . . ?
C24B C23B O19B C19B 176(3) . . . . ?
C20B C19B O19B C23B -57(4) . . . . ?
O16B C19B O19B C23B 63(4) . . . . ?
C21B C22B O21B C25B 123(5) . . . . ?
C23B C22B O21B C25B -106(6) . . . . ?
C22B O21B C25B O24B 105(5) . . . . ?
C22B O21B C25B C26B -133(5) . . . . ?
O24B C25B C26B O22B -179(5) . . . . ?
O21B C25B C26B O22B 59(6) . . . . ?
O24B C25B C26B C27B 47(5) . . . . ?
O21B C25B C26B C27B -75(5) . . . . ?
O22B C26B C27B O23B 47(5) . . . . ?
C25B C26B C27B O23B -170(4) . . . . ?
O22B C26B C27B C28B 169(5) . . . . ?
C25B C26B C27B C28B -47(5) . . . . ?
O23B C27B C28B C29B 163(5) . . . . ?
C26B C27B C28B C29B 52(5) . . . . ?
O23B C27B C28B O26B -81(6) . . . . ?
C26B C27B C28B O26B 169(5) . . . . ?
C27B C28B C29B O24B -58(5) . . . . ?
O26B C28B C29B O24B -174(5) . . . . ?
C27B C28B C29B C30B -169(5) . . . . ?
O26B C28B C29B C30B 76(6) . . . . ?
O24B C29B C30B O25B 77(6) . . . . ?
C28B C29B C30B O25B -169(6) . . . . ?
C30B C29B O24B C25B 177(4) . . . . ?
C28B C29B O24B C25B 61(5) . . . . ?
C26B C25B O24B C29B -56(5) . . . . ?
O21B C25B O24B C29B 64(5) . . . . ?
C27B C28B O26B C31B 131(4) . . . . ?
C29B C28B O26B C31B -111(5) . . . . ?
C28B O26B C31B O29B 116(4) . . . . ?
C28B O26B C31B C32B -124(4) . . . . ?
O29B C31B C32B O27B -178(5) . . . . ?
O26B C31B C32B O27B 62(6) . . . . ?
O29B C31B C32B C33B 50(5) . . . . ?
O26B C31B C32B C33B -70(5) . . . . ?
O27B C32B C33B O28B 46(5) . . . . ?
C31B C32B C33B O28B -173(4) . . . . ?
O27B C32B C33B C34B 169(4) . . . . ?
C31B C32B C33B C34B -51(5) . . . . ?
O28B C33B C34B O31B -76(5) . . . . ?
C32B C33B C34B O31B 174(5) . . . . ?
O28B C33B C34B C35B 167(4) . . . . ?
C32B C33B C34B C35B 57(5) . . . . ?
O31B C34B C35B O29B -178(4) . . . . ?
C33B C34B C35B O29B -67(5) . . . . ?
O31B C34B C35B C36B 71(5) . . . . ?
C33B C34B C35B C36B -179(4) . . . . ?
O29B C35B C36B O30B -58(6) . . . . ?
C34B C35B C36B O30B 55(6) . . . . ?
C36B C35B O29B C31B -175(3) . . . . ?
C34B C35B O29B C31B 68(4) . . . . ?
C32B C31B O29B C35B -60(4) . . . . ?
O26B C31B O29B C35B 59(5) . . . . ?
C33B C34B O31B C37B 123(4) . . . . ?
C35B C34B O31B C37B -122(4) . . . . ?
C34B O31B C37B O34B 97(5) . . . . ?
C34B O31B C37B C38B -139(4) . . . . ?
O34B C37B C38B O32B -176(4) . . . . ?
O31B C37B C38B O32B 62(5) . . . . ?
O34B C37B C38B C39B 52(4) . . . . ?
O31B C37B C38B C39B -69(5) . . . . ?
O32B C38B C39B O33B 42(5) . . . . ?
C37B C38B C39B O33B -178(4) . . . . ?
O32B C38B C39B C40B 168(4) . . . . ?
C37B C38B C39B C40B -53(4) . . . . ?
O33B C39B C40B O36B -78(5) . . . . ?
C38B C39B C40B O36B 166(4) . . . . ?
O33B C39B C40B C41B 172(4) . . . . ?
C38B C39B C40B C41B 57(5) . . . . ?
C39B C40B C41B O34B -63(4) . . . . ?
O36B C40B C41B O34B -174(4) . . . . ?
C39B C40B C41B C42B -174(4) . . . . ?
O36B C40B C41B C42B 75(4) . . . . ?
O34B C41B C42B O35B -73(5) . . . . ?
C40B C41B C42B O35B 42(5) . . . . ?
C42B C41B O34B C37B 176(3) . . . . ?
C40B C41B O34B C37B 61(4) . . . . ?
C38B C37B O34B C41B -57(4) . . . . ?
O31B C37B O34B C41B 64(5) . . . . ?
C39B C40B O36B C43B 139(4) . . . . ?
C41B C40B O36B C43B -107(4) . . . . ?
C40B O36B C43B O39B 126(4) . . . . ?
C40B O36B C43B C44B -110(4) . . . . ?
O39B C43B C44B O37B -171(4) . . . . ?
O36B C43B C44B O37B 68(5) . . . . ?
O39B C43B C44B C45B 52(4) . . . . ?
O36B C43B C44B C45B -69(4) . . . . ?
O37B C44B C45B O38B 42(5) . . . . ?
C43B C44B C45B O38B -177(3) . . . . ?
O37B C44B C45B C46B 167(4) . . . . ?
C43B C44B C45B C46B -52(4) . . . . ?
C1B O1B C46B C45B 111(3) . . . . ?
C1B O1B C46B C47B -129(3) . . . . ?
O38B C45B C46B O1B -66(4) . . . . ?
C44B C45B C46B O1B 174(3) . . . . ?
O38B C45B C46B C47B 175(4) . . . . ?
C44B C45B C46B C47B 54(4) . . . . ?
O1B C46B C47B O39B -174(3) . . . . ?
C45B C46B C47B O39B -59(4) . . . . ?
O1B C46B C47B C48B 70(4) . . . . ?
C45B C46B C47B C48B -175(3) . . . . ?
O39B C47B C48B O40B -64(4) . . . . ?
C46B C47B C48B O40B 56(4) . . . . ?
O36B C43B O39B C47B 67(4) . . . . ?
C44B C43B O39B C47B -54(4) . . . . ?
C48B C47B O39B C43B 179(3) . . . . ?
C46B C47B O39B C43B 57(4) . . . . ?
C46C O1C C1C O4C 118(3) . . . . ?
C46C O1C C1C C2C -117(3) . . . . ?
O4C C1C C2C O2C -164(4) . . . . ?
O1C C1C C2C O2C 71(5) . . . . ?
O4C C1C C2C C3C 48(4) . . . . ?
O1C C1C C2C C3C -76(4) . . . . ?
O2C C2C C3C O3C 37(4) . . . . ?
C1C C2C C3C O3C -170(3) . . . . ?
O2C C2C C3C C4C 161(3) . . . . ?
C1C C2C C3C C4C -46(4) . . . . ?
O3C C3C C4C O6C -74(4) . . . . ?
C2C C3C C4C O6C 169(3) . . . . ?
O3C C3C C4C C5C 167(3) . . . . ?
C2C C3C C4C C5C 49(4) . . . . ?
O6C C4C C5C O4C -176(3) . . . . ?
C3C C4C C5C O4C -59(4) . . . . ?
O6C C4C C5C C6C 69(4) . . . . ?
C3C C4C C5C C6C -174(3) . . . . ?
O4C C5C C6C O5C 70(4) . . . . ?
C4C C5C C6C O5C -172(4) . . . . ?
C6C C5C O4C C1C -178(3) . . . . ?
C4C C5C O4C C1C 62(4) . . . . ?
C2C C1C O4C C5C -57(4) . . . . ?
O1C C1C O4C C5C 65(4) . . . . ?
C3C C4C O6C C7C 115(3) . . . . ?
C5C C4C O6C C7C -125(3) . . . . ?
C4C O6C C7C O9C 100(3) . . . . ?
C4C O6C C7C C8C -133(3) . . . . ?
O9C C7C C8C O7C 176(4) . . . . ?
O6C C7C C8C O7C 50(4) . . . . ?
O9C C7C C8C C9C 48(4) . . . . ?
O6C C7C C8C C9C -78(3) . . . . ?
O7C C8C C9C O8C 49(4) . . . . ?
C7C C8C C9C O8C -175(3) . . . . ?
O7C C8C C9C C10C 174(4) . . . . ?
C7C C8C C9C C10C -50(4) . . . . ?
O8C C9C C10C O11C -70(5) . . . . ?
C8C C9C C10C O11C 177(4) . . . . ?
O8C C9C C10C C11C 170(4) . . . . ?
C8C C9C C10C C11C 57(4) . . . . ?
O11C C10C C11C O9C -180(3) . . . . ?
C9C C10C C11C O9C -64(4) . . . . ?
O11C C10C C11C C12C 66(4) . . . . ?
C9C C10C C11C C12C -179(3) . . . . ?
O9C C11C C12C O10C -58(4) . . . . ?
C10C C11C C12C O10C 58(5) . . . . ?
C12C C11C O9C C7C -178(3) . . . . ?
C10C C11C O9C C7C 62(3) . . . . ?
C8C C7C O9C C11C -56(4) . . . . ?
O6C C7C O9C C11C 67(4) . . . . ?
C9C C10C O11C C13C 129(4) . . . . ?
C11C C10C O11C C13C -112(4) . . . . ?
C10C O11C C13C O14C 107(4) . . . . ?
C10C O11C C13C C14C -132(3) . . . . ?
O14C C13C C14C O12C -167(5) . . . . ?
O11C C13C C14C O12C 75(5) . . . . ?
O14C C13C C14C C15C 55(4) . . . . ?
O11C C13C C14C C15C -64(4) . . . . ?
O12C C14C C15C O13C 30(5) . . . . ?
C13C C14C C15C O13C 176(4) . . . . ?
O12C C14C C15C C16C 155(4) . . . . ?
C13C C14C C15C C16C -59(4) . . . . ?
O13C C15C C16C O16C -75(5) . . . . ?
C14C C15C C16C O16C 173(4) . . . . ?
O13C C15C C16C C17C 172(4) . . . . ?
C14C C15C C16C C17C 60(4) . . . . ?
C15C C16C C17C O14C -60(5) . . . . ?
O16C C16C C17C O14C -173(4) . . . . ?
C15C C16C C17C C18C -173(4) . . . . ?
O16C C16C C17C C18C 74(5) . . . . ?
O14C C17C C18C O15C 72(5) . . . . ?
C16C C17C C18C O15C -171(5) . . . . ?
C18C C17C O14C C13C 172(3) . . . . ?
C16C C17C O14C C13C 54(4) . . . . ?
C14C C13C O14C C17C -53(4) . . . . ?
O11C C13C O14C C17C 64(4) . . . . ?
C15C C16C O16C C19C 136(4) . . . . ?
C17C C16C O16C C19C -108(4) . . . . ?
C16C O16C C19C O19C 116(4) . . . . ?
C16C O16C C19C C20C -121(4) . . . . ?
O19C C19C C20C O17C -175(5) . . . . ?
O16C C19C C20C O17C 63(5) . . . . ?
O19C C19C C20C C21C 50(4) . . . . ?
O16C C19C C20C C21C -71(4) . . . . ?
O17C C20C C21C O18C 36(5) . . . . ?
C19C C20C C21C O18C 178(4) . . . . ?
O17C C20C C21C C22C 160(4) . . . . ?
C19C C20C C21C C22C -57(4) . . . . ?
O18C C21C C22C O21C -67(5) . . . . ?
C20C C21C C22C O21C -180(4) . . . . ?
O18C C21C C22C C23C 174(4) . . . . ?
C20C C21C C22C C23C 62(4) . . . . ?
O21C C22C C23C O19C -177(4) . . . . ?
C21C C22C C23C O19C -65(4) . . . . ?
O21C C22C C23C C24C 65(5) . . . . ?
C21C C22C C23C C24C 177(4) . . . . ?
O19C C23C C24C O20C -71(5) . . . . ?
C22C C23C C24C O20C 50(6) . . . . ?
C24C C23C O19C C19C -177(4) . . . . ?
C22C C23C O19C C19C 58(5) . . . . ?
C20C C19C O19C C23C -51(5) . . . . ?
O16C C19C O19C C23C 69(5) . . . . ?
C21C C22C O21C C25C 136(4) . . . . ?
C23C C22C O21C C25C -110(5) . . . . ?
C22C O21C C25C O24C 99(4) . . . . ?
C22C O21C C25C C26C -136(4) . . . . ?
O24C C25C C26C O22C -179(4) . . . . ?
O21C C25C C26C O22C 58(5) . . . . ?
O24C C25C C26C C27C 52(4) . . . . ?
O21C C25C C26C C27C -71(4) . . . . ?
O22C C26C C27C O23C 37(5) . . . . ?
C25C C26C C27C O23C 176(4) . . . . ?
O22C C26C C27C C28C 168(4) . . . . ?
C25C C26C C27C C28C -53(5) . . . . ?
O23C C27C C28C O26C -63(6) . . . . ?
C26C C27C C28C O26C 176(5) . . . . ?
O23C C27C C28C C29C 177(5) . . . . ?
C26C C27C C28C C29C 57(5) . . . . ?
O26C C28C C29C O24C -178(4) . . . . ?
C27C C28C C29C O24C -61(5) . . . . ?
O26C C28C C29C C30C 76(5) . . . . ?
C27C C28C C29C C30C -167(4) . . . . ?
O24C C29C C30C O25C -71(5) . . . . ?
C28C C29C C30C O25C 41(5) . . . . ?
C30C C29C O24C C25C 168(3) . . . . ?
C28C C29C O24C C25C 59(4) . . . . ?
C26C C25C O24C C29C -57(4) . . . . ?
O21C C25C O24C C29C 64(5) . . . . ?
C27C C28C O26C C31C 143(4) . . . . ?
C29C C28C O26C C31C -98(5) . . . . ?
C28C O26C C31C O29C 115(4) . . . . ?
C28C O26C C31C C32C -121(4) . . . . ?
O29C C31C C32C O27C -169(4) . . . . ?
O26C C31C C32C O27C 68(5) . . . . ?
O29C C31C C32C C33C 53(4) . . . . ?
O26C C31C C32C C33C -70(4) . . . . ?
O27C C32C C33C O28C 42(5) . . . . ?
C31C C32C C33C O28C -178(4) . . . . ?
O27C C32C C33C C34C 171(4) . . . . ?
C31C C32C C33C C34C -49(5) . . . . ?
O28C C33C C34C O31C -65(5) . . . . ?
C32C C33C C34C O31C 172(4) . . . . ?
O28C C33C C34C C35C 174(4) . . . . ?
C32C C33C C34C C35C 50(5) . . . . ?
O31C C34C C35C O29C -170(4) . . . . ?
C33C C34C C35C O29C -55(5) . . . . ?
O31C C34C C35C C36C 74(5) . . . . ?
C33C C34C C35C C36C -171(4) . . . . ?
O29C C35C C36C O30C -64(5) . . . . ?
C34C C35C C36C O30C 56(5) . . . . ?
C36C C35C O29C C31C 178(3) . . . . ?
C34C C35C O29C C31C 55(4) . . . . ?
C32C C31C O29C C35C -56(4) . . . . ?
O26C C31C O29C C35C 62(4) . . . . ?
C33C C34C O31C C37C 113(4) . . . . ?
C35C C34C O31C C37C -125(4) . . . . ?
C34C O31C C37C O34C 80(4) . . . . ?
C34C O31C C37C C38C -155(3) . . . . ?
O34C C37C C38C O32C 179(4) . . . . ?
O31C C37C C38C O32C 56(4) . . . . ?
O34C C37C C38C C39C 47(4) . . . . ?
O31C C37C C38C C39C -76(4) . . . . ?
O32C C38C C39C O33C 57(4) . . . . ?
C37C C38C C39C O33C -168(3) . . . . ?
O32C C38C C39C C40C 178(4) . . . . ?
C37C C38C C39C C40C -46(4) . . . . ?
O33C C39C C40C O36C -65(4) . . . . ?
C38C C39C C40C O36C 177(3) . . . . ?
O33C C39C C40C C41C 172(3) . . . . ?
C38C C39C C40C C41C 53(4) . . . . ?
O36C C40C C41C O34C -180(3) . . . . ?
C39C C40C C41C O34C -62(4) . . . . ?
O36C C40C C41C C42C 64(5) . . . . ?
C39C C40C C41C C42C -179(3) . . . . ?
O34C C41C C42C O35C -82(5) . . . . ?
C40C C41C C42C O35C 37(5) . . . . ?
C42C C41C O34C C37C -174(3) . . . . ?
C40C C41C O34C C37C 61(4) . . . . ?
C38C C37C O34C C41C -55(4) . . . . ?
O31C C37C O34C C41C 65(4) . . . . ?
C39C C40C O36C C43C 132(3) . . . . ?
C41C C40C O36C C43C -106(4) . . . . ?
C40C O36C C43C O39C 113(3) . . . . ?
C40C O36C C43C C44C -126(3) . . . . ?
O39C C43C C44C O37C -179(3) . . . . ?
O36C C43C C44C O37C 60(3) . . . . ?
O39C C43C C44C C45C 58(3) . . . . ?
O36C C43C C44C C45C -64(3) . . . . ?
O37C C44C C45C O38C 54(4) . . . . ?
C43C C44C C45C O38C -179(3) . . . . ?
O37C C44C C45C C46C 177(3) . . . . ?
C43C C44C C45C C46C -55(3) . . . . ?
C1C O1C C46C C45C 136(3) . . . . ?
C1C O1C C46C C47C -107(3) . . . . ?
O38C C45C C46C O1C -71(4) . . . . ?
C44C C45C C46C O1C 173(3) . . . . ?
O38C C45C C46C C47C 173(3) . . . . ?
C44C C45C C46C C47C 57(4) . . . . ?
O1C C46C C47C O39C -179(3) . . . . ?
C45C C46C C47C O39C -62(4) . . . . ?
O1C C46C C47C C48C 71(4) . . . . ?
C45C C46C C47C C48C -172(4) . . . . ?
O39C C47C C48C O40C 47(5) . . . . ?
C46C C47C C48C O40C 162(4) . . . . ?
O36C C43C O39C C47C 54(4) . . . . ?
C44C C43C O39C C47C -63(3) . . . . ?
C46C C47C O39C C43C 64(3) . . . . ?
C48C C47C O39C C43C -175(3) . . . . ?
C46D O1D C1D O4D 84(3) . . . . ?
C46D O1D C1D C2D -153(3) . . . . ?
O4D C1D C2D O2D -178(3) . . . . ?
O1D C1D C2D O2D 60(4) . . . . ?
O4D C1D C2D C3D 50(4) . . . . ?
O1D C1D C2D C3D -71(3) . . . . ?
O2D C2D C3D O3D 49(4) . . . . ?
C1D C2D C3D O3D -174(3) . . . . ?
O2D C2D C3D C4D 172(3) . . . . ?
C1D C2D C3D C4D -52(4) . . . . ?
O3D C3D C4D O6D -67(4) . . . . ?
C2D C3D C4D O6D 179(3) . . . . ?
O3D C3D C4D C5D 170(3) . . . . ?
C2D C3D C4D C5D 56(4) . . . . ?
O6D C4D C5D O4D 178(3) . . . . ?
C3D C4D C5D O4D -63(4) . . . . ?
O6D C4D C5D C6D 58(4) . . . . ?
C3D C4D C5D C6D 178(3) . . . . ?
O4D C5D C6D O5D -77(4) . . . . ?
C4D C5D C6D O5D 43(5) . . . . ?
C6D C5D O4D C1D -173(3) . . . . ?
C4D C5D O4D C1D 63(3) . . . . ?
C2D C1D O4D C5D -57(4) . . . . ?
O1D C1D O4D C5D 63(4) . . . . ?
C3D C4D O6D C7D 133(3) . . . . ?
C5D C4D O6D C7D -107(4) . . . . ?
C4D O6D C7D O9D 115(3) . . . . ?
C4D O6D C7D C8D -124(3) . . . . ?
O9D C7D C8D O7D -174(3) . . . . ?
O6D C7D C8D O7D 64(4) . . . . ?
O9D C7D C8D C9D 59(3) . . . . ?
O6D C7D C8D C9D -63(3) . . . . ?
O7D C8D C9D O8D 44(4) . . . . ?
C7D C8D C9D O8D 175(3) . . . . ?
O7D C8D C9D C10D 173(3) . . . . ?
C7D C8D C9D C10D -56(4) . . . . ?
O8D C9D C10D O11D -68(5) . . . . ?
C8D C9D C10D O11D 171(3) . . . . ?
O8D C9D C10D C11D 177(3) . . . . ?
C8D C9D C10D C11D 56(4) . . . . ?
O11D C10D C11D O9D 180(3) . . . . ?
C9D C10D C11D O9D -61(4) . . . . ?
O11D C10D C11D C12D 71(4) . . . . ?
C9D C10D C11D C12D -169(3) . . . . ?
O9D C11D C12D O10D 16(4) . . . . ?
C10D C11D C12D O10D 130(4) . . . . ?
O6D C7D O9D C11D 56(4) . . . . ?
C8D C7D O9D C11D -64(3) . . . . ?
C12D C11D O9D C7D -177(3) . . . . ?
C10D C11D O9D C7D 64(3) . . . . ?
C9D C10D O11D C13D 133(3) . . . . ?
C11D C10D O11D C13D -109(3) . . . . ?
C10D O11D C13D O14D 125(3) . . . . ?
C10D O11D C13D C14D -113(3) . . . . ?
O14D C13D C14D O12D -169(4) . . . . ?
O11D C13D C14D O12D 70(4) . . . . ?
O14D C13D C14D C15D 51(4) . . . . ?
O11D C13D C14D C15D -71(4) . . . . ?
O12D C14D C15D O13D 43(4) . . . . ?
C13D C14D C15D O13D -172(3) . . . . ?
O12D C14D C15D C16D 163(3) . . . . ?
C13D C14D C15D C16D -52(4) . . . . ?
O13D C15D C16D O16D -69(4) . . . . ?
C14D C15D C16D O16D 174(3) . . . . ?
O13D C15D C16D C17D 174(3) . . . . ?
C14D C15D C16D C17D 57(4) . . . . ?
O16D C16D C17D O14D 178(3) . . . . ?
C15D C16D C17D O14D -66(3) . . . . ?
O16D C16D C17D C18D 66(4) . . . . ?
C15D C16D C17D C18D -179(3) . . . . ?
O14D C17D C18D O15D 70(4) . . . . ?
C16D C17D C18D O15D -176(4) . . . . ?
C18D C17D O14D C13D -175(3) . . . . ?
C16D C17D O14D C13D 67(3) . . . . ?
C14D C13D O14D C17D -59(3) . . . . ?
O11D C13D O14D C17D 61(3) . . . . ?
C15D C16D O16D C19D 113(3) . . . . ?
C17D C16D O16D C19D -132(3) . . . . ?
C16D O16D C19D O19D 102(4) . . . . ?
C16D O16D C19D C20D -135(3) . . . . ?
O19D C19D C20D O17D -173(5) . . . . ?
O16D C19D C20D O17D 65(5) . . . . ?
O19D C19D C20D C21D 49(4) . . . . ?
O16D C19D C20D C21D -73(4) . . . . ?
O17D C20D C21D O18D 39(5) . . . . ?
C19D C20D C21D O18D -174(3) . . . . ?
O17D C20D C21D C22D 162(4) . . . . ?
C19D C20D C21D C22D -52(4) . . . . ?
O18D C21D C22D O21D -65(5) . . . . ?
C20D C21D C22D O21D 179(4) . . . . ?
O18D C21D C22D C23D 175(4) . . . . ?
C20D C21D C22D C23D 59(4) . . . . ?
O21D C22D C23D O19D 178(4) . . . . ?
C21D C22D C23D O19D -67(4) . . . . ?
O21D C22D C23D C24D 65(4) . . . . ?
C21D C22D C23D C24D 179(3) . . . . ?
O19D C23D C24D O20D -52(4) . . . . ?
C22D C23D C24D O20D 62(5) . . . . ?
C24D C23D O19D C19D -177(3) . . . . ?
C22D C23D O19D C19D 65(3) . . . . ?
C20D C19D O19D C23D -57(4) . . . . ?
O16D C19D O19D C23D 63(4) . . . . ?
C21D C22D O21D C25D 130(4) . . . . ?
C23D C22D O21D C25D -113(4) . . . . ?
C22D O21D C25D O24D 111(4) . . . . ?
C22D O21D C25D C26D -128(4) . . . . ?
O24D C25D C26D O22D -166(4) . . . . ?
O21D C25D C26D O22D 75(5) . . . . ?
O24D C25D C26D C27D 56(4) . . . . ?
O21D C25D C26D C27D -62(4) . . . . ?
O22D C26D C27D O23D 38(5) . . . . ?
C25D C26D C27D O23D -180(4) . . . . ?
O22D C26D C27D C28D 163(4) . . . . ?
C25D C26D C27D C28D -55(4) . . . . ?
O23D C27D C28D O26D -70(6) . . . . ?
C26D C27D C28D O26D 175(5) . . . . ?
O23D C27D C28D C29D 169(4) . . . . ?
C26D C27D C28D C29D 54(5) . . . . ?
O26D C28D C29D O24D -175(5) . . . . ?
C27D C28D C29D O24D -55(5) . . . . ?
O26D C28D C29D C30D 72(6) . . . . ?
C27D C28D C29D C30D -168(4) . . . . ?
O24D C29D C30D O25D 66(6) . . . . ?
C28D C29D C30D O25D -176(5) . . . . ?
C30D C29D O24D C25D 176(3) . . . . ?
C28D C29D O24D C25D 56(4) . . . . ?
C26D C25D O24D C29D -58(4) . . . . ?
O21D C25D O24D C29D 58(4) . . . . ?
C27D C28D O26D C31D 133(4) . . . . ?
C29D C28D O26D C31D -106(5) . . . . ?
C28D O26D C31D O29D 111(5) . . . . ?
C28D O26D C31D C32D -122(4) . . . . ?
O29D C31D C32D O27D -171(5) . . . . ?
O26D C31D C32D O27D 64(6) . . . . ?
O29D C31D C32D C33D 46(5) . . . . ?
O26D C31D C32D C33D -78(5) . . . . ?
O27D C32D C33D O28D 28(5) . . . . ?
C31D C32D C33D O28D 178(4) . . . . ?
O27D C32D C33D C34D 158(4) . . . . ?
C31D C32D C33D C34D -52(5) . . . . ?
O28D C33D C34D O31D -70(5) . . . . ?
C32D C33D C34D O31D 170(4) . . . . ?
O28D C33D C34D C35D 178(4) . . . . ?
C32D C33D C34D C35D 59(4) . . . . ?
C33D C34D C35D O29D -63(4) . . . . ?
O31D C34D C35D O29D -176(4) . . . . ?
C33D C34D C35D C36D -176(4) . . . . ?
O31D C34D C35D C36D 71(4) . . . . ?
O29D C35D C36D O30D -75(5) . . . . ?
C34D C35D C36D O30D 41(6) . . . . ?
C36D C35D O29D C31D 177(3) . . . . ?
C34D C35D O29D C31D 59(4) . . . . ?
C32D C31D O29D C35D -51(5) . . . . ?
O26D C31D O29D C35D 72(4) . . . . ?
C33D C34D O31D C37D 132(4) . . . . ?
C35D C34D O31D C37D -114(4) . . . . ?
C34D O31D C37D O34D 110(4) . . . . ?
C34D O31D C37D C38D -129(3) . . . . ?
O34D C37D C38D O32D -180(4) . . . . ?
O31D C37D C38D O32D 61(5) . . . . ?
O34D C37D C38D C39D 50(4) . . . . ?
O31D C37D C38D C39D -69(4) . . . . ?
O32D C38D C39D O33D 47(4) . . . . ?
C37D C38D C39D O33D -175(4) . . . . ?
O32D C38D C39D C40D 174(4) . . . . ?
C37D C38D C39D C40D -49(4) . . . . ?
O33D C39D C40D O36D -74(5) . . . . ?
C38D C39D C40D O36D 170(4) . . . . ?
O33D C39D C40D C41D 171(4) . . . . ?
C38D C39D C40D C41D 54(5) . . . . ?
O36D C40D C41D O34D -179(4) . . . . ?
C39D C40D C41D O34D -64(4) . . . . ?
O36D C40D C41D C42D 71(5) . . . . ?
C39D C40D C41D C42D -175(4) . . . . ?
O34D C41D C42D O35D -100(5) . . . . ?
C40D C41D C42D O35D 14(6) . . . . ?
C38D C37D O34D C41D -59(4) . . . . ?
O31D C37D O34D C41D 60(4) . . . . ?
C42D C41D O34D C37D -177(3) . . . . ?
C40D C41D O34D C37D 65(4) . . . . ?
C39D C40D O36D C43D 137(4) . . . . ?
C41D C40D O36D C43D -107(4) . . . . ?
C40D O36D C43D O39D 114(4) . . . . ?
C40D O36D C43D C44D -122(4) . . . . ?
O39D C43D C44D O37D -170(4) . . . . ?
O36D C43D C44D O37D 69(5) . . . . ?
O39D C43D C44D C45D 52(4) . . . . ?
O36D C43D C44D C45D -70(4) . . . . ?
O37D C44D C45D O38D 40(4) . . . . ?
C43D C44D C45D O38D -176(3) . . . . ?
O37D C44D C45D C46D 164(4) . . . . ?
C43D C44D C45D C46D -51(4) . . . . ?
O38D C45D C46D O1D -72(4) . . . . ?
C44D C45D C46D O1D 171(3) . . . . ?
O38D C45D C46D C47D 170(3) . . . . ?
C44D C45D C46D C47D 54(4) . . . . ?
C1D O1D C46D C45D 112(3) . . . . ?
C1D O1D C46D C47D -131(3) . . . . ?
C45D C46D C47D O39D -58(4) . . . . ?
O1D C46D C47D O39D -170(3) . . . . ?
C45D C46D C47D C48D -175(3) . . . . ?
O1D C46D C47D C48D 73(4) . . . . ?
O39D C47D C48D O40D -69(5) . . . . ?
C46D C47D C48D O40D 51(5) . . . . ?
C48D C47D O39D C43D -180(3) . . . . ?
C46D C47D O39D C43D 57(3) . . . . ?
C44D C43D O39D C47D -55(4) . . . . ?
O36D C43D O39D C47D 65(4) . . . . ?
C46E O1E C1E O4E 117(3) . . . . ?
C46E O1E C1E C2E -121(3) . . . . ?
O4E C1E C2E O2E -174(4) . . . . ?
O1E C1E C2E O2E 65(4) . . . . ?
O4E C1E C2E C3E 50(4) . . . . ?
O1E C1E C2E C3E -71(4) . . . . ?
O2E C2E C3E O3E 47(4) . . . . ?
C1E C2E C3E O3E -172(3) . . . . ?
O2E C2E C3E C4E 170(3) . . . . ?
C1E C2E C3E C4E -49(4) . . . . ?
O3E C3E C4E O6E -69(4) . . . . ?
C2E C3E C4E O6E 174(3) . . . . ?
O3E C3E C4E C5E 168(3) . . . . ?
C2E C3E C4E C5E 51(4) . . . . ?
O6E C4E C5E O4E -176(3) . . . . ?
C3E C4E C5E O4E -59(4) . . . . ?
O6E C4E C5E C6E 70(4) . . . . ?
C3E C4E C5E C6E -173(3) . . . . ?
O4E C5E C6E O5E 73(4) . . . . ?
C4E C5E C6E O5E -169(4) . . . . ?
C2E C1E O4E C5E -57(4) . . . . ?
O1E C1E O4E C5E 63(4) . . . . ?
C6E C5E O4E C1E 180(3) . . . . ?
C4E C5E O4E C1E 62(4) . . . . ?
C3E C4E O6E C7E 118(3) . . . . ?
C5E C4E O6E C7E -122(4) . . . . ?
C4E O6E C7E O9E 95(4) . . . . ?
C4E O6E C7E C8E -138(3) . . . . ?
O9E C7E C8E O7E -178(4) . . . . ?
O6E C7E C8E O7E 56(5) . . . . ?
O9E C7E C8E C9E 52(4) . . . . ?
O6E C7E C8E C9E -73(4) . . . . ?
O7E C8E C9E O8E 45(4) . . . . ?
C7E C8E C9E O8E -177(3) . . . . ?
O7E C8E C9E C10E 168(3) . . . . ?
C7E C8E C9E C10E -54(4) . . . . ?
O8E C9E C10E O11E -67(5) . . . . ?
C8E C9E C10E O11E 178(3) . . . . ?
O8E C9E C10E C11E 171(4) . . . . ?
C8E C9E C10E C11E 57(4) . . . . ?
O11E C10E C11E O9E -178(3) . . . . ?
C9E C10E C11E O9E -59(4) . . . . ?
O11E C10E C11E C12E 65(4) . . . . ?
C9E C10E C11E C12E -177(3) . . . . ?
O9E C11E C12E O10E -58(4) . . . . ?
C10E C11E C12E O10E 62(5) . . . . ?
C12E C11E O9E C7E 178(3) . . . . ?
C10E C11E O9E C7E 56(4) . . . . ?
C8E C7E O9E C11E -55(4) . . . . ?
O6E C7E O9E C11E 68(4) . . . . ?
C9E C10E O11E C13E 126(4) . . . . ?
C11E C10E O11E C13E -114(4) . . . . ?
C10E O11E C13E O14E 110(3) . . . . ?
C10E O11E C13E C14E -129(3) . . . . ?
O14E C13E C14E O12E -162(5) . . . . ?
O11E C13E C14E O12E 78(5) . . . . ?
O14E C13E C14E C15E 56(4) . . . . ?
O11E C13E C14E C15E -64(4) . . . . ?
O12E C14E C15E O13E 30(5) . . . . ?
C13E C14E C15E O13E 179(4) . . . . ?
O12E C14E C15E C16E 156(4) . . . . ?
C13E C14E C15E C16E -55(4) . . . . ?
O13E C15E C16E O16E -76(5) . . . . ?
C14E C15E C16E O16E 172(4) . . . . ?
O13E C15E C16E C17E 164(4) . . . . ?
C14E C15E C16E C17E 52(5) . . . . ?
O16E C16E C17E O14E -177(4) . . . . ?
C15E C16E C17E O14E -55(5) . . . . ?
O16E C16E C17E C18E 70(5) . . . . ?
C15E C16E C17E C18E -168(4) . . . . ?
O14E C17E C18E O15E 70(5) . . . . ?
C16E C17E C18E O15E -172(4) . . . . ?
C18E C17E O14E C13E 176(3) . . . . ?
C16E C17E O14E C13E 57(4) . . . . ?
C14E C13E O14E C17E -59(4) . . . . ?
O11E C13E O14E C17E 60(4) . . . . ?
C15E C16E O16E C19E 128(4) . . . . ?
C17E C16E O16E C19E -111(4) . . . . ?
C16E O16E C19E O19E 119(4) . . . . ?
C16E O16E C19E C20E -118(3) . . . . ?
O19E C19E C20E O17E -171(4) . . . . ?
O16E C19E C20E O17E 68(5) . . . . ?
O19E C19E C20E C21E 47(4) . . . . ?
O16E C19E C20E C21E -74(4) . . . . ?
O17E C20E C21E O18E 38(4) . . . . ?
C19E C20E C21E O18E -174(4) . . . . ?
O17E C20E C21E C22E 162(4) . . . . ?
C19E C20E C21E C22E -50(4) . . . . ?
O18E C21E C22E O21E -73(5) . . . . ?
C20E C21E C22E O21E 174(4) . . . . ?
O18E C21E C22E C23E 170(4) . . . . ?
C20E C21E C22E C23E 57(4) . . . . ?
O21E C22E C23E O19E -178(4) . . . . ?
C21E C22E C23E O19E -69(4) . . . . ?
O21E C22E C23E C24E 69(4) . . . . ?
C21E C22E C23E C24E 178(3) . . . . ?
O19E C23E C24E O20E -63(5) . . . . ?
C22E C23E C24E O20E 53(5) . . . . ?
C24E C23E O19E C19E -174(3) . . . . ?
C22E C23E O19E C19E 67(3) . . . . ?
C20E C19E O19E C23E -56(4) . . . . ?
O16E C19E O19E C23E 65(4) . . . . ?
C21E C22E O21E C25E 133(3) . . . . ?
C23E C22E O21E C25E -114(4) . . . . ?
C22E O21E C25E O24E 103(4) . . . . ?
C22E O21E C25E C26E -135(3) . . . . ?
O24E C25E C26E O22E -167(5) . . . . ?
O21E C25E C26E O22E 71(5) . . . . ?
O24E C25E C26E C27E 50(5) . . . . ?
O21E C25E C26E C27E -71(4) . . . . ?
O22E C26E C27E O23E 35(5) . . . . ?
C25E C26E C27E O23E -176(4) . . . . ?
O22E C26E C27E C28E 157(4) . . . . ?
C25E C26E C27E C28E -54(4) . . . . ?
O23E C27E C28E O26E -79(5) . . . . ?
C26E C27E C28E O26E 169(4) . . . . ?
O23E C27E C28E C29E 172(4) . . . . ?
C26E C27E C28E C29E 59(4) . . . . ?
C27E C28E C29E O24E -67(4) . . . . ?
O26E C28E C29E O24E -173(4) . . . . ?
C27E C28E C29E C30E 177(4) . . . . ?
O26E C28E C29E C30E 70(5) . . . . ?
O24E C29E C30E O25E 62(6) . . . . ?
C28E C29E C30E O25E -180(5) . . . . ?
C30E C29E O24E C25E -178(3) . . . . ?
C28E C29E O24E C25E 61(4) . . . . ?
C26E C25E O24E C29E -53(4) . . . . ?
O21E C25E O24E C29E 66(4) . . . . ?
C27E C28E O26E C31E 137(4) . . . . ?
C29E C28E O26E C31E -111(4) . . . . ?
C28E O26E C31E O29E 115(4) . . . . ?
C28E O26E C31E C32E -122(4) . . . . ?
O29E C31E C32E O27E -167(5) . . . . ?
O26E C31E C32E O27E 71(6) . . . . ?
O29E C31E C32E C33E 51(5) . . . . ?
O26E C31E C32E C33E -71(5) . . . . ?
O27E C32E C33E O28E 35(5) . . . . ?
C31E C32E C33E O28E -178(4) . . . . ?
O27E C32E C33E C34E 163(4) . . . . ?
C31E C32E C33E C34E -50(5) . . . . ?
O28E C33E C34E O31E -70(5) . . . . ?
C32E C33E C34E O31E 169(4) . . . . ?
O28E C33E C34E C35E 174(4) . . . . ?
C32E C33E C34E C35E 53(5) . . . . ?
O31E C34E C35E O29E -176(4) . . . . ?
C33E C34E C35E O29E -61(5) . . . . ?
O31E C34E C35E C36E 67(5) . . . . ?
C33E C34E C35E C36E -177(4) . . . . ?
O29E C35E C36E O30E -65(5) . . . . ?
C34E C35E C36E O30E 55(6) . . . . ?
C36E C35E O29E C31E -176(3) . . . . ?
C34E C35E O29E C31E 61(4) . . . . ?
C32E C31E O29E C35E -56(4) . . . . ?
O26E C31E O29E C35E 65(4) . . . . ?
C33E C34E O31E C37E 116(4) . . . . ?
C35E C34E O31E C37E -126(4) . . . . ?
C34E O31E C37E O34E 93(4) . . . . ?
C34E O31E C37E C38E -141(3) . . . . ?
O34E C37E C38E O32E 175(4) . . . . ?
O31E C37E C38E O32E 51(4) . . . . ?
O34E C37E C38E C39E 48(4) . . . . ?
O31E C37E C38E C39E -76(4) . . . . ?
O32E C38E C39E O33E 47(4) . . . . ?
C37E C38E C39E O33E 178(3) . . . . ?
O32E C38E C39E C40E 178(4) . . . . ?
C37E C38E C39E C40E -51(4) . . . . ?
O33E C39E C40E O36E -62(5) . . . . ?
C38E C39E C40E O36E 178(3) . . . . ?
O33E C39E C40E C41E 178(4) . . . . ?
C38E C39E C40E C41E 59(4) . . . . ?
C39E C40E C41E O34E -66(4) . . . . ?
O36E C40E C41E O34E 178(3) . . . . ?
C39E C40E C41E C42E 175(3) . . . . ?
O36E C40E C41E C42E 59(5) . . . . ?
O34E C41E C42E O35E -76(4) . . . . ?
C40E C41E C42E O35E 43(5) . . . . ?
C42E C41E O34E C37E -171(3) . . . . ?
C40E C41E O34E C37E 63(4) . . . . ?
C38E C37E O34E C41E -56(4) . . . . ?
O31E C37E O34E C41E 67(4) . . . . ?
C39E C40E O36E C43E 137(3) . . . . ?
C41E C40E O36E C43E -106(4) . . . . ?
C40E O36E C43E O39E 112(3) . . . . ?
C40E O36E C43E C44E -127(3) . . . . ?
O39E C43E C44E O37E -172(3) . . . . ?
O36E C43E C44E O37E 69(4) . . . . ?
O39E C43E C44E C45E 56(4) . . . . ?
O36E C43E C44E C45E -64(3) . . . . ?
O37E C44E C45E O38E 34(4) . . . . ?
C43E C44E C45E O38E 171(3) . . . . ?
O37E C44E C45E C46E 164(3) . . . . ?
C43E C44E C45E C46E -59(4) . . . . ?
O38E C45E C46E O1E -72(4) . . . . ?
C44E C45E C46E O1E 170(3) . . . . ?
O38E C45E C46E C47E 177(4) . . . . ?
C44E C45E C46E C47E 59(4) . . . . ?
C1E O1E C46E C45E 137(3) . . . . ?
C1E O1E C46E C47E -109(3) . . . . ?
C45E C46E C47E O39E -61(4) . . . . ?
O1E C46E C47E O39E -171(3) . . . . ?
C45E C46E C47E C48E -171(3) . . . . ?
O1E C46E C47E C48E 79(4) . . . . ?
O39E C47E C48E O40E 64(4) . . . . ?
C46E C47E C48E O40E -179(4) . . . . ?
C48E C47E O39E C43E 174(3) . . . . ?
C46E C47E O39E C43E 56(4) . . . . ?
O36E C43E O39E C47E 62(4) . . . . ?
C44E C43E O39E C47E -55(4) . . . . ?
C46F O1F C1F O4F 116(4) . . . . ?
C46F O1F C1F C2F -123(3) . . . . ?
O4F C1F C2F O2F -179(4) . . . . ?
O1F C1F C2F O2F 62(4) . . . . ?
O4F C1F C2F C3F 51(4) . . . . ?
O1F C1F C2F C3F -68(4) . . . . ?
O2F C2F C3F O3F 53(5) . . . . ?
C1F C2F C3F O3F -174(3) . . . . ?
O2F C2F C3F C4F 176(4) . . . . ?
C1F C2F C3F C4F -51(4) . . . . ?
O3F C3F C4F O6F -65(5) . . . . ?
C2F C3F C4F O6F 176(4) . . . . ?
O3F C3F C4F C5F 175(4) . . . . ?
C2F C3F C4F C5F 56(4) . . . . ?
C3F C4F C5F O4F -64(4) . . . . ?
O6F C4F C5F O4F -177(3) . . . . ?
C3F C4F C5F C6F -179(3) . . . . ?
O6F C4F C5F C6F 68(5) . . . . ?
O4F C5F C6F O5F -64(4) . . . . ?
C4F C5F C6F O5F 53(5) . . . . ?
C2F C1F O4F C5F -59(4) . . . . ?
O1F C1F O4F C5F 57(4) . . . . ?
C6F C5F O4F C1F -174(3) . . . . ?
C4F C5F O4F C1F 64(4) . . . . ?
C3F C4F O6F C7F 116(4) . . . . ?
C5F C4F O6F C7F -127(3) . . . . ?
C4F O6F C7F O9F 83(4) . . . . ?
C4F O6F C7F C8F -152(3) . . . . ?
O9F C7F C8F O7F 178(3) . . . . ?
O6F C7F C8F O7F 55(4) . . . . ?
O9F C7F C8F C9F 49(4) . . . . ?
O6F C7F C8F C9F -74(4) . . . . ?
O7F C8F C9F O8F 53(4) . . . . ?
C7F C8F C9F O8F -174(3) . . . . ?
O7F C8F C9F C10F 178(3) . . . . ?
C7F C8F C9F C10F -48(4) . . . . ?
O8F C9F C10F O11F -70(5) . . . . ?
C8F C9F C10F O11F 173(3) . . . . ?
O8F C9F C10F C11F 171(3) . . . . ?
C8F C9F C10F C11F 55(4) . . . . ?
O11F C10F C11F O9F 173(3) . . . . ?
C9F C10F C11F O9F -64(4) . . . . ?
O11F C10F C11F C12F 55(4) . . . . ?
C9F C10F C11F C12F 178(3) . . . . ?
O9F C11F C12F O10F -72(4) . . . . ?
C10F C11F C12F O10F 48(5) . . . . ?
C12F C11F O9F C7F -170(3) . . . . ?
C10F C11F O9F C7F 63(3) . . . . ?
O6F C7F O9F C11F 64(4) . . . . ?
C8F C7F O9F C11F -57(4) . . . . ?
C9F C10F O11F C13F 129(3) . . . . ?
C11F C10F O11F C13F -111(3) . . . . ?
C10F O11F C13F O14F 120(3) . . . . ?
C10F O11F C13F C14F -119(3) . . . . ?
O14F C13F C14F O12F -170(3) . . . . ?
O11F C13F C14F O12F 70(4) . . . . ?
O14F C13F C14F C15F 56(3) . . . . ?
O11F C13F C14F C15F -63(3) . . . . ?
O12F C14F C15F O13F 35(4) . . . . ?
C13F C14F C15F O13F 173(3) . . . . ?
O12F C14F C15F C16F 167(3) . . . . ?
C13F C14F C15F C16F -56(4) . . . . ?
O13F C15F C16F O16F -68(4) . . . . ?
C14F C15F C16F O16F 168(3) . . . . ?
O13F C15F C16F C17F 178(3) . . . . ?
C14F C15F C16F C17F 54(4) . . . . ?
C15F C16F C17F O14F -56(4) . . . . ?
O16F C16F C17F O14F -170(3) . . . . ?
C15F C16F C17F C18F -167(3) . . . . ?
O16F C16F C17F C18F 79(4) . . . . ?
O14F C17F C18F O15F 65(4) . . . . ?
C16F C17F C18F O15F -178(4) . . . . ?
C18F C17F O14F C13F 174(3) . . . . ?
C16F C17F O14F C13F 57(4) . . . . ?
O11F C13F O14F C17F 61(3) . . . . ?
C14F C13F O14F C17F -58(3) . . . . ?
C15F C16F O16F C19F 134(3) . . . . ?
C17F C16F O16F C19F -109(3) . . . . ?
C16F O16F C19F O19F 119(3) . . . . ?
C16F O16F C19F C20F -118(3) . . . . ?
O19F C19F C20F O17F -166(4) . . . . ?
O16F C19F C20F O17F 75(4) . . . . ?
O19F C19F C20F C21F 46(4) . . . . ?
O16F C19F C20F C21F -72(4) . . . . ?
O17F C20F C21F O18F 38(4) . . . . ?
C19F C20F C21F O18F -171(3) . . . . ?
O17F C20F C21F C22F 162(3) . . . . ?
C19F C20F C21F C22F -47(4) . . . . ?
O18F C21F C22F O21F -70(4) . . . . ?
C20F C21F C22F O21F 173(3) . . . . ?
O18F C21F C22F C23F 168(3) . . . . ?
C20F C21F C22F C23F 52(4) . . . . ?
O21F C22F C23F O19F -177(3) . . . . ?
C21F C22F C23F O19F -58(4) . . . . ?
O21F C22F C23F C24F 66(4) . . . . ?
C21F C22F C23F C24F -176(3) . . . . ?
O19F C23F C24F O20F 70(4) . . . . ?
C22F C23F C24F O20F -171(4) . . . . ?
C24F C23F O19F C19F -180(3) . . . . ?
C22F C23F O19F C19F 58(4) . . . . ?
C20F C19F O19F C23F -53(4) . . . . ?
O16F C19F O19F C23F 66(3) . . . . ?
C21F C22F O21F C25F 116(3) . . . . ?
C23F C22F O21F C25F -123(4) . . . . ?
C22F O21F C25F O24F 98(3) . . . . ?
C22F O21F C25F C26F -136(3) . . . . ?
O24F C25F C26F O22F 176(4) . . . . ?
O21F C25F C26F O22F 55(5) . . . . ?
O24F C25F C26F C27F 46(4) . . . . ?
O21F C25F C26F C27F -76(4) . . . . ?
O22F C26F C27F O23F 48(4) . . . . ?
C25F C26F C27F O23F -174(3) . . . . ?
O22F C26F C27F C28F 172(4) . . . . ?
C25F C26F C27F C28F -51(4) . . . . ?
O23F C27F C28F O26F -66(4) . . . . ?
C26F C27F C28F O26F 176(3) . . . . ?
O23F C27F C28F C29F 176(4) . . . . ?
C26F C27F C28F C29F 59(4) . . . . ?
C27F C28F C29F O24F -63(4) . . . . ?
O26F C28F C29F O24F -177(3) . . . . ?
C27F C28F C29F C30F -179(3) . . . . ?
O26F C28F C29F C30F 67(4) . . . . ?
O24F C29F C30F O25F -56(5) . . . . ?
C28F C29F C30F O25F 60(5) . . . . ?
C30F C29F O24F C25F 178(3) . . . . ?
C28F C29F O24F C25F 58(4) . . . . ?
C26F C25F O24F C29F -52(4) . . . . ?
O21F C25F O24F C29F 69(4) . . . . ?
C27F C28F O26F C31F 126(3) . . . . ?
C29F C28F O26F C31F -118(3) . . . . ?
C28F O26F C31F O29F 110(3) . . . . ?
C28F O26F C31F C32F -132(3) . . . . ?
O29F C31F C32F O27F -164(4) . . . . ?
O26F C31F C32F O27F 80(4) . . . . ?
O29F C31F C32F C33F 60(4) . . . . ?
O26F C31F C32F C33F -57(4) . . . . ?
O27F C32F C33F O28F 41(5) . . . . ?
C31F C32F C33F O28F -179(4) . . . . ?
O27F C32F C33F C34F 162(4) . . . . ?
C31F C32F C33F C34F -58(4) . . . . ?
O28F C33F C34F O31F -71(5) . . . . ?
C32F C33F C34F O31F 175(4) . . . . ?
O28F C33F C34F C35F 168(4) . . . . ?
C32F C33F C34F C35F 55(4) . . . . ?
O31F C34F C35F O29F -178(4) . . . . ?
C33F C34F C35F O29F -57(5) . . . . ?
O31F C34F C35F C36F 70(5) . . . . ?
C33F C34F C35F C36F -169(4) . . . . ?
O29F C35F C36F O30F 68(5) . . . . ?
C34F C35F C36F O30F -175(5) . . . . ?
C36F C35F O29F C31F 177(3) . . . . ?
C34F C35F O29F C31F 58(4) . . . . ?
C32F C31F O29F C35F -61(4) . . . . ?
O26F C31F O29F C35F 54(4) . . . . ?
C33F C34F O31F C37F 131(4) . . . . ?
C35F C34F O31F C37F -108(4) . . . . ?
C34F O31F C37F O34F 114(4) . . . . ?
C34F O31F C37F C38F -123(4) . . . . ?
O34F C37F C38F O32F -175(5) . . . . ?
O31F C37F C38F O32F 65(5) . . . . ?
O34F C37F C38F C39F 54(4) . . . . ?
O31F C37F C38F C39F -66(4) . . . . ?
O32F C38F C39F O33F 48(5) . . . . ?
C37F C38F C39F O33F -173(4) . . . . ?
O32F C38F C39F C40F 171(4) . . . . ?
C37F C38F C39F C40F -49(4) . . . . ?
O33F C39F C40F O36F -61(6) . . . . ?
C38F C39F C40F O36F -177(4) . . . . ?
O33F C39F C40F C41F 170(4) . . . . ?
C38F C39F C40F C41F 53(5) . . . . ?
O36F C40F C41F O34F 180(5) . . . . ?
C39F C40F C41F O34F -61(5) . . . . ?
O36F C40F C41F C42F 68(6) . . . . ?
C39F C40F C41F C42F -173(4) . . . . ?
O34F C41F C42F O35F -78(6) . . . . ?
C40F C41F C42F O35F 35(6) . . . . ?
C40F C41F O34F C37F 62(4) . . . . ?
C42F C41F O34F C37F 179(3) . . . . ?
C38F C37F O34F C41F -61(4) . . . . ?
O31F C37F O34F C41F 60(4) . . . . ?
C39F C40F O36F C43F 130(4) . . . . ?
C41F C40F O36F C43F -104(6) . . . . ?
C40F O36F C43F O39F 95(5) . . . . ?
C40F O36F C43F C44F -132(4) . . . . ?
O39F C43F C44F O37F 175(4) . . . . ?
O36F C43F C44F O37F 42(5) . . . . ?
O39F C43F C44F C45F 48(4) . . . . ?
O36F C43F C44F C45F -85(4) . . . . ?
O37F C44F C45F O38F 46(5) . . . . ?
C43F C44F C45F O38F 179(4) . . . . ?
O37F C44F C45F C46F 177(4) . . . . ?
C43F C44F C45F C46F -50(4) . . . . ?
O38F C45F C46F C47F 179(5) . . . . ?
C44F C45F C46F C47F 60(5) . . . . ?
O38F C45F C46F O1F -75(6) . . . . ?
C44F C45F C46F O1F 165(4) . . . . ?
C1F O1F C46F C45F 143(3) . . . . ?
C1F O1F C46F C47F -105(4) . . . . ?
C45F C46F C47F O39F -67(4) . . . . ?
O1F C46F C47F O39F -174(4) . . . . ?
C45F C46F C47F C48F -180(4) . . . . ?
O1F C46F C47F C48F 72(4) . . . . ?
O39F C47F C48F O40F -75(6) . . . . ?
C46F C47F C48F O40F 40(6) . . . . ?
C44F C43F O39F C47F -56(5) . . . . ?
O36F C43F O39F C47F 72(5) . . . . ?
C48F C47F O39F C43F -178(3) . . . . ?
C46F C47F O39F C43F 62(4) . . . . ?
C34G O1G C1G C2G 131(4) . . . . ?
C34G O1G C1G C5G -102(4) . . . . ?
O1G C1G C2G O2G -68(5) . . . . ?
C5G C1G C2G O2G 171(4) . . . . ?
O1G C1G C2G C3G 169(3) . . . . ?
C5G C1G C2G C3G 47(4) . . . . ?
O2G C2G C3G O3G 56(4) . . . . ?
C1G C2G C3G O3G -173(4) . . . . ?
O2G C2G C3G C4G 178(4) . . . . ?
C1G C2G C3G C4G -52(4) . . . . ?
O3G C3G C4G O6G 48(4) . . . . ?
C2G C3G C4G O6G -65(3) . . . . ?
O3G C3G C4G O4G 179(3) . . . . ?
C2G C3G C4G O4G 65(3) . . . . ?
C2G C1G C5G O4G -53(4) . . . . ?
O1G C1G C5G O4G -173(3) . . . . ?
C2G C1G C5G C6G -166(4) . . . . ?
O1G C1G C5G C6G 74(4) . . . . ?
O4G C5G C6G O5G 92(5) . . . . ?
C1G C5G C6G O5G -153(4) . . . . ?
C6G C5G O4G C4G -178(2) . . . . ?
C1G C5G O4G C4G 60(3) . . . . ?
O6G C4G O4G C5G 62(3) . . . . ?
C3G C4G O4G C5G -75(3) . . . . ?
C3G C4G O6G C7G -131(3) . . . . ?
O4G C4G O6G C7G 98(3) . . . . ?
C4G O6G C7G C8G 126(3) . . . . ?
C4G O6G C7G C11G -113(3) . . . . ?
O6G C7G C8G O7G -72(4) . . . . ?
C11G C7G C8G O7G 175(3) . . . . ?
O6G C7G C8G C9G 163(3) . . . . ?
C11G C7G C8G C9G 50(4) . . . . ?
O7G C8G C9G O8G 53(5) . . . . ?
C7G C8G C9G O8G -180(4) . . . . ?
O7G C8G C9G C10G -177(4) . . . . ?
C7G C8G C9G C10G -49(4) . . . . ?
O8G C9G C10G O11G 46(5) . . . . ?
C8G C9G C10G O11G -76(4) . . . . ?
O8G C9G C10G O9G -177(4) . . . . ?
C8G C9G C10G O9G 61(4) . . . . ?
C8G C7G C11G O9G -62(3) . . . . ?
O6G C7G C11G O9G -176(3) . . . . ?
C8G C7G C11G C12G -171(3) . . . . ?
O6G C7G C11G C12G 75(3) . . . . ?
O9G C11G C12G O10G -44(5) . . . . ?
C7G C11G C12G O10G 57(5) . . . . ?
C12G C11G O9G C10G -169(3) . . . . ?
C7G C11G O9G C10G 75(3) . . . . ?
O11G C10G O9G C11G 48(5) . . . . ?
C9G C10G O9G C11G -88(4) . . . . ?
C9G C10G O11G C13G -131(3) . . . . ?
O9G C10G O11G C13G 98(4) . . . . ?
C10G O11G C13G C14G 128(4) . . . . ?
C10G O11G C13G C17G -111(4) . . . . ?
O11G C13G C14G O12G -64(5) . . . . ?
C17G C13G C14G O12G -178(4) . . . . ?
O11G C13G C14G C15G 167(4) . . . . ?
C17G C13G C14G C15G 53(4) . . . . ?
O12G C14G C15G O13G 53(5) . . . . ?
C13G C14G C15G O13G -174(4) . . . . ?
O12G C14G C15G C16G 178(4) . . . . ?
C13G C14G C15G C16G -49(4) . . . . ?
O13G C15G C16G O16G 39(5) . . . . ?
C14G C15G C16G O16G -76(4) . . . . ?
O13G C15G C16G O14G 177(3) . . . . ?
C14G C15G C16G O14G 61(4) . . . . ?
C14G C13G C17G O14G -64(3) . . . . ?
O11G C13G C17G O14G -178(3) . . . . ?
C14G C13G C17G C18G -168(3) . . . . ?
O11G C13G C17G C18G 77(4) . . . . ?
O14G C17G C18G O15G -48(5) . . . . ?
C13G C17G C18G O15G 49(5) . . . . ?
C18G C17G O14G C16G -170(3) . . . . ?
C13G C17G O14G C16G 76(3) . . . . ?
O16G C16G O14G C17G 46(4) . . . . ?
C15G C16G O14G C17G -90(4) . . . . ?
C15G C16G O16G C19G -138(3) . . . . ?
O14G C16G O16G C19G 90(4) . . . . ?
C16G O16G C19G C20G 135(4) . . . . ?
C16G O16G C19G C23G -103(4) . . . . ?
O16G C19G C20G O17G -57(5) . . . . ?
C23G C19G C20G O17G -171(4) . . . . ?
O16G C19G C20G C21G 166(3) . . . . ?
C23G C19G C20G C21G 53(4) . . . . ?
O17G C20G C21G O18G 49(5) . . . . ?
C19G C20G C21G O18G -172(3) . . . . ?
O17G C20G C21G C22G 174(4) . . . . ?
C19G C20G C21G C22G -47(4) . . . . ?
O18G C21G C22G O21G 49(4) . . . . ?
C20G C21G C22G O21G -73(4) . . . . ?
O18G C21G C22G O19G -180(3) . . . . ?
C20G C21G C22G O19G 58(3) . . . . ?
C20G C19G C23G O19G -64(3) . . . . ?
O16G C19G C23G O19G -178(3) . . . . ?
C20G C19G C23G C24G -166(3) . . . . ?
O16G C19G C23G C24G 80(4) . . . . ?
O19G C23G C24G O20G -42(5) . . . . ?
C19G C23G C24G O20G 54(5) . . . . ?
C24G C23G O19G C22G -171(3) . . . . ?
C19G C23G O19G C22G 76(3) . . . . ?
O21G C22G O19G C23G 43(4) . . . . ?
C21G C22G O19G C23G -88(3) . . . . ?
C21G C22G O21G C25G -137(3) . . . . ?
O19G C22G O21G C25G 96(4) . . . . ?
C22G O21G C25G C26G 128(4) . . . . ?
C22G O21G C25G C29G -101(4) . . . . ?
O21G C25G C26G O22G -61(5) . . . . ?
C29G C25G C26G O22G 175(4) . . . . ?
O21G C25G C26G C27G 171(3) . . . . ?
C29G C25G C26G C27G 48(5) . . . . ?
O22G C26G C27G O23G 51(4) . . . . ?
C25G C26G C27G O23G -177(4) . . . . ?
O22G C26G C27G C28G -179(4) . . . . ?
C25G C26G C27G C28G -46(4) . . . . ?
O23G C27G C28G O26G 49(5) . . . . ?
C26G C27G C28G O26G -70(4) . . . . ?
O23G C27G C28G O24G 178(3) . . . . ?
C26G C27G C28G O24G 58(4) . . . . ?
C26G C25G C29G O24G -55(4) . . . . ?
O21G C25G C29G O24G -176(3) . . . . ?
C26G C25G C29G C30G -166(4) . . . . ?
O21G C25G C29G C30G 73(4) . . . . ?
O24G C29G C30G O25G -58(5) . . . . ?
C25G C29G C30G O25G 48(6) . . . . ?
C30G C29G O24G C28G -168(3) . . . . ?
C25G C29G O24G C28G 67(3) . . . . ?
O26G C28G O24G C29G 48(4) . . . . ?
C27G C28G O24G C29G -81(4) . . . . ?
C27G C28G O26G C31G -139(3) . . . . ?
O24G C28G O26G C31G 96(4) . . . . ?
C28G O26G C31G C32G 137(3) . . . . ?
C28G O26G C31G C35G -110(3) . . . . ?
O26G C31G C32G O27G -67(4) . . . . ?
C35G C31G C32G O27G -177(4) . . . . ?
O26G C31G C32G C33G 169(3) . . . . ?
C35G C31G C32G C33G 59(4) . . . . ?
O27G C32G C33G O28G 47(4) . . . . ?
C31G C32G C33G O28G 177(3) . . . . ?
O27G C32G C33G C34G 175(4) . . . . ?
C31G C32G C33G C34G -55(4) . . . . ?
C1G O1G C34G C33G -141(3) . . . . ?
C1G O1G C34G O29G 100(3) . . . . ?
O28G C33G C34G O1G 49(4) . . . . ?
C32G C33G C34G O1G -68(4) . . . . ?
O28G C33G C34G O29G 171(3) . . . . ?
C32G C33G C34G O29G 54(4) . . . . ?
O26G C31G C35G O29G -172(3) . . . . ?
C32G C31G C35G O29G -63(3) . . . . ?
O26G C31G C35G C36G 80(3) . . . . ?
C32G C31G C35G C36G -171(3) . . . . ?
O29G C35G C36G O30G -47(4) . . . . ?
C31G C35G C36G O30G 57(4) . . . . ?
C36G C35G O29G C34G -177(3) . . . . ?
C31G C35G O29G C34G 73(3) . . . . ?
O1G C34G O29G C35G 48(4) . . . . ?
C33G C34G O29G C35G -75(4) . . . . ?

_refine_diff_density_max         3.737
_refine_diff_density_min         -2.907
_refine_diff_density_rms         0.273



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a-CD
_database_code_depnum_ccdc_archive 'CCDC 2108598'
_audit_update_record             
;
2021-10-20 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;

_vrf_DIFMN02_a-CD                
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*2.00
RESPONSE: This is probably due to the less absorption correction derived 
from very thin plate crystal.
;
_vrf_RINTA01_a-CD                
;
PROBLEM: The value of Rint is greater than 0.25
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT020_a-CD                
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.265 Report
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT043_a-CD                
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    1008.78 Check 
RESPONSE: Reported Mol. was determined from the result of elemental analysis 
which includes undetermined water molecules of crystallization, acetates and 
Na ions.
;
_vrf_PLAT098_a-CD                
;
PROBLEM: Large Reported Min.  (Negative) Residual Density     -19.97 eA-3  
RESPONSE: This is probably due to the less absorption correction derived 
from very thin plate crystal.
;
_vrf_PLAT602_a-CD                
;
PROBLEM: Solvent Accessible VOID(S) in Structure ........          ! Check 
RESPONSE: PLATON SQUEEZE was applied.
;
_vrf_PLAT733_a-CD                
;
PROBLEM: Torsion Calc  -178.8(10), Rep  -180.00(1) ......       9.90 s.u.-R
RESPONSE: A large number of constrained/restrained refinement is likely cause 
large co-variances.
;
_vrf_PLAT005_a-CD                
;
PROBLEM: No Embedded Refinement Details Found  in the CIF     Please Do !  
RESPONSE: _shelx_res_file is included in the CIF.
;
_vrf_PLAT082_a-CD                
;
PROBLEM: High R1 Value ..................................       0.16 Report
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT084_a-CD                
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: The shape of crystal (very thin plate) and radioactive decay during 
measurement resulted in this poor Rint value.
;
_vrf_PLAT097_a-CD                
;
PROBLEM: Large Reported Max.  (Positive) Residual Density      11.88 eA-3  
RESPONSE: This is probably due to the less absorption correction derived 
from very thin plate crystal.
;
_vrf_PLAT220_a-CD                
;
PROBLEM: NonSolvent   Resd 2  O   Ueq(max)/Ueq(min) Range        6.1 Ratio 
RESPONSE: Due to low resolution diffraction because of severely 
disordered  structure.
;
_vrf_PLAT306_a-CD                
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......       O13W Check 
RESPONSE: Hydrogen atoms on the crystal water was not determined due to the 
inclusion of heavy atoms.
;
_vrf_PLAT342_a-CD                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03235 Ang.  
RESPONSE: Due to low resolution diffraction because of severely 
disordered  structure.
;
_vrf_PLAT415_a-CD                
;
PROBLEM: Short Inter D-H..H-X       H10K     ..H159     .       1.99 Ang.  
RESPONSE: Due to extremely low resolution diffractions, molecular 
structure was refined as rigid bodies, which could not provide the 
atomicaly-precise structure.
;
_vrf_PLAT417_a-CD                
;
PROBLEM: Short Inter D-H..H-D       H63      ..H73      .       2.01 Ang.  
RESPONSE: Due to extremely low resolution diffractions, molecular 
structure was refined as rigid bodies, which could not provide the 
atomicaly-precise structure.
;
_vrf_PLAT420_a-CD                
;
PROBLEM: D-H Bond Without Acceptor  O100     --H10J     .     Please Check 
RESPONSE: Acepter water molecules were excluded by SQUEEZE.
;
_vrf_PLAT430_a-CD                
;
PROBLEM: Short Inter D...A Contact  O1       ..O3W      .       2.83 Ang.  
RESPONSE: Due to the formation of hydrogen bond.
;


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
;
 '0.66(Na1 1+), (C30 H54 Au3 Co2 N6 O12 S6 3-), (C36 H60 O30),
 4.33(H2 O1), [2.67(Na1 1+), 0.33(C2 H3 O21-), 13.67(H2 O1)]'
;
_chemical_formula_sum            'C66.67 H151 Au3 Co2 N6 Na3.33 O60.67 S6'
_chemical_formula_weight         2985.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0001 0.0005 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -0.4737 3.6288 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.2163 0.3559 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0005 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0100 0.0078 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0017 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.0444 0.0409 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           154
_space_group_name_H-M_alt        'P 32 2 1'
_space_group_name_Hall           'P 32 2"'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'x-y, -y, -z+1/3'
'-x, -x+y, -z+2/3'
'y, x, -z'

_cell_length_a                   27.74680(10)
_cell_length_b                   27.74680(10)
_cell_length_c                   98.7723(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     65855.4(6)
_cell_formula_units_Z            18
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    63003
_cell_measurement_theta_min      1.3990
_cell_measurement_theta_max      18.5090

_exptl_crystal_description       'thin plate'
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_F_000             27036
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.005
_exptl_absorpt_coefficient_mu    0.829
_shelx_estimated_absorpt_T_min   0.937
_shelx_estimated_absorpt_T_max   0.996
_exptl_absorpt_correction_T_min  0.71334
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.60a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.4133
_diffrn_radiation_type           synchrotron
_diffrn_source                   'SPring-8 BL02B1 bending magnet'
_diffrn_radiation_monochromator  Si(311)
_diffrn_measurement_device_type  
'RIGAKU 1/4chi goniometer with PILATUS3 X CdTe 1M'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_measurement_method       'w scan'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_av_sigmaI/netI    0.3677
_diffrn_reflns_number            1776804
_diffrn_reflns_av_unetI/netI     0.1653
_diffrn_reflns_av_R_equivalents  0.2649
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_l_min       -164
_diffrn_reflns_limit_l_max       164
_diffrn_reflns_theta_min         1.461
_diffrn_reflns_theta_max         21.851
_diffrn_reflns_theta_full        14.358
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.894
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.863
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             231808
_reflns_number_gt                161940
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.848
_reflns_Friedel_fraction_max     0.829
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX
_refine_special_details          
;
Global ISOR, SIMU, RIGU and BUMP restrains were applied. DFIX and 
SAME were applied to model D-glucose moiety in AE Â?-cyclodextrin. 
All nonhydrogen atoms except for water molecules of crystallization 
were refined anisotropically. All of the H atoms except those of 
water molecules were placed at the calculated positions 
by using a riding model. 
While the X-ray analysis of 3AE Â? showed a relatively high Flack 
parameter (AE Ã  = 0.208(6)), the correctness of the absolute structure 
of 3AE Â? was confirmed by the absolute configurations of the asymmetric 
carbon centers of D-pen andAE Â?-cyclodextrin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 50751 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.208(6)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         231808
_refine_ls_number_parameters     3506
_refine_ls_number_restraints     11934
_refine_ls_R_factor_all          0.1859
_refine_ls_R_factor_gt           0.1565
_refine_ls_wR_factor_ref         0.3824
_refine_ls_wR_factor_gt          0.3649
_refine_ls_goodness_of_fit_ref   1.298
_refine_ls_restrained_S_all      1.281
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4378(7) 0.4797(6) 0.07604(16) 0.021(2) Uani 1 1 d . U . . .
C2 C 0.4943(7) 0.4874(8) 0.08110(16) 0.025(2) Uani 1 1 d . U . . .
H2 H 0.523518 0.527362 0.080025 0.031 Uiso 1 1 calc R U . . .
C3 C 0.5126(9) 0.4522(10) 0.0735(2) 0.036(3) Uani 1 1 d . U . . .
C4 C 0.4414(6) 0.5058(7) 0.06259(15) 0.022(2) Uani 1 1 d . U . . .
H4A H 0.404523 0.499471 0.060026 0.034 Uiso 1 1 calc R U . . .
H4B H 0.467591 0.545888 0.063127 0.034 Uiso 1 1 calc R U . . .
H4C H 0.454293 0.489134 0.055783 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3922(7) 0.4166(7) 0.07548(19) 0.027(3) Uani 1 1 d . U . . .
H5A H 0.389739 0.399400 0.084299 0.040 Uiso 1 1 calc R U . . .
H5B H 0.356133 0.413144 0.073253 0.040 Uiso 1 1 calc R U . . .
H5C H 0.402071 0.397898 0.068523 0.040 Uiso 1 1 calc R U . . .
C6 C 0.3983(7) 0.4020(7) 0.12843(17) 0.025(2) Uani 1 1 d . U . . .
C7 C 0.4641(8) 0.4328(8) 0.12795(19) 0.030(3) Uani 1 1 d . U . . .
H7 H 0.474530 0.416572 0.120211 0.036 Uiso 1 1 calc R U . . .
C8 C 0.4875(7) 0.4212(7) 0.14092(17) 0.024(2) Uani 1 1 d . U . . .
C9 C 0.3716(6) 0.3410(6) 0.12980(18) 0.024(3) Uani 1 1 d . U . . .
H9A H 0.384081 0.326151 0.122430 0.036 Uiso 1 1 calc R U . . .
H9B H 0.382033 0.331859 0.138514 0.036 Uiso 1 1 calc R U . . .
H9C H 0.331110 0.324381 0.129376 0.036 Uiso 1 1 calc R U . . .
C10 C 0.3773(6) 0.4214(8) 0.13999(18) 0.026(3) Uani 1 1 d . U . . .
H10A H 0.393842 0.461905 0.139535 0.039 Uiso 1 1 calc R U . . .
H10B H 0.336673 0.403736 0.139432 0.039 Uiso 1 1 calc R U . . .
H10C H 0.387597 0.411215 0.148571 0.039 Uiso 1 1 calc R U . . .
C11 C 0.4812(5) 0.6235(5) 0.11890(14) 0.0150(18) Uani 1 1 d . U . . .
C12 C 0.5322(6) 0.6167(6) 0.11756(15) 0.020(2) Uani 1 1 d . U . . .
H12 H 0.535563 0.598467 0.125976 0.024 Uiso 1 1 calc R U . . .
C13 C 0.5852(7) 0.6757(6) 0.11636(17) 0.023(2) Uani 1 1 d . U . . .
C14 C 0.4782(7) 0.6532(7) 0.13153(18) 0.027(3) Uani 1 1 d . U . . .
H14A H 0.485703 0.637124 0.139540 0.040 Uiso 1 1 calc R U . . .
H14B H 0.506035 0.692872 0.130933 0.040 Uiso 1 1 calc R U . . .
H14C H 0.441015 0.648825 0.132270 0.040 Uiso 1 1 calc R U . . .
C15 C 0.4694(8) 0.6500(7) 0.1069(2) 0.031(3) Uani 1 1 d . U . . .
H15A H 0.470944 0.631860 0.098515 0.046 Uiso 1 1 calc R U . . .
H15B H 0.432231 0.645673 0.107842 0.046 Uiso 1 1 calc R U . . .
H15C H 0.497252 0.689720 0.106504 0.046 Uiso 1 1 calc R U . . .
C16 C 0.2133(8) 0.4805(8) 0.07133(19) 0.031(3) Uani 1 1 d . U . . .
C17 C 0.1539(8) 0.4701(8) 0.07599(18) 0.028(3) Uani 1 1 d . U . . .
H17 H 0.128301 0.428856 0.075914 0.033 Uiso 1 1 calc R U . . .
C18 C 0.1293(9) 0.4949(9) 0.0660(2) 0.036(3) Uani 1 1 d . U . . .
C19 C 0.2528(9) 0.5398(10) 0.0703(2) 0.039(4) Uani 1 1 d . U . . .
H19A H 0.255464 0.557558 0.079111 0.059 Uiso 1 1 calc R U . . .
H19B H 0.289431 0.545541 0.067803 0.059 Uiso 1 1 calc R U . . .
H19C H 0.240113 0.556412 0.063452 0.059 Uiso 1 1 calc R U . . .
C20 C 0.2061(10) 0.4504(10) 0.0591(2) 0.038(4) Uani 1 1 d . U . . .
H20A H 0.179055 0.410981 0.060535 0.057 Uiso 1 1 calc R U . . .
H20B H 0.192520 0.465226 0.051954 0.057 Uiso 1 1 calc R U . . .
H20C H 0.241838 0.454355 0.056306 0.057 Uiso 1 1 calc R U . . .
C21 C 0.1631(8) 0.3431(8) 0.11537(19) 0.028(3) Uani 1 1 d . U . . .
C22 C 0.1112(5) 0.3464(6) 0.11372(15) 0.0174(19) Uani 1 1 d . U . . .
H22 H 0.108238 0.365718 0.121940 0.021 Uiso 1 1 calc R U . . .
C23 C 0.0561(7) 0.2903(7) 0.11275(19) 0.028(3) Uani 1 1 d . U . . .
C24 C 0.1638(6) 0.3115(6) 0.12873(17) 0.023(2) Uani 1 1 d . U . . .
H24A H 0.198728 0.310860 0.129194 0.035 Uiso 1 1 calc R U . . .
H24B H 0.160601 0.330869 0.136677 0.035 Uiso 1 1 calc R U . . .
H24C H 0.132378 0.273266 0.128547 0.035 Uiso 1 1 calc R U . . .
C25 C 0.1751(7) 0.3139(7) 0.10376(18) 0.026(3) Uani 1 1 d . U . . .
H25A H 0.209635 0.313619 0.105646 0.039 Uiso 1 1 calc R U . . .
H25B H 0.144265 0.275574 0.102938 0.039 Uiso 1 1 calc R U . . .
H25C H 0.179078 0.333894 0.095278 0.039 Uiso 1 1 calc R U . . .
C26 C 0.2412(7) 0.5686(7) 0.12192(17) 0.025(2) Uani 1 1 d . U . . .
C27 C 0.1780(7) 0.5378(7) 0.12047(17) 0.026(2) Uani 1 1 d . U . . .
H27 H 0.169142 0.552105 0.112084 0.031 Uiso 1 1 calc R U . . .
C28 C 0.1493(7) 0.5507(7) 0.13282(18) 0.027(3) Uani 1 1 d . U . . .
C29 C 0.2611(9) 0.5531(10) 0.1351(2) 0.036(4) Uani 1 1 d . U . . .
H29A H 0.301860 0.574078 0.135457 0.054 Uiso 1 1 calc R U . . .
H29B H 0.245915 0.562372 0.142966 0.054 Uiso 1 1 calc R U . . .
H29C H 0.248135 0.513158 0.135068 0.054 Uiso 1 1 calc R U . . .
C30 C 0.2702(11) 0.6331(8) 0.1208(2) 0.039(4) Uani 1 1 d . U . . .
H30A H 0.310504 0.649191 0.121884 0.058 Uiso 1 1 calc R U . . .
H30B H 0.262281 0.643362 0.111959 0.058 Uiso 1 1 calc R U . . .
H30C H 0.256178 0.647399 0.127970 0.058 Uiso 1 1 calc R U . . .
C31 C 0.7380(7) 0.3153(6) 0.12635(16) 0.022(2) Uani 1 1 d . U . . .
C32 C 0.7680(6) 0.2812(6) 0.12490(17) 0.022(2) Uani 1 1 d . U . . .
H32 H 0.752959 0.257373 0.116648 0.027 Uiso 1 1 calc R U . . .
C33 C 0.7579(8) 0.2431(7) 0.13701(18) 0.027(3) Uani 1 1 d . U . . .
C34 C 0.7546(6) 0.3519(8) 0.13880(18) 0.027(3) Uani 1 1 d . U . . .
H34A H 0.795123 0.375925 0.138998 0.040 Uiso 1 1 calc R U . . .
H34B H 0.736946 0.374865 0.138553 0.040 Uiso 1 1 calc R U . . .
H34C H 0.742415 0.328457 0.146929 0.040 Uiso 1 1 calc R U . . .
C35 C 0.6757(9) 0.2780(9) 0.1259(2) 0.036(4) Uani 1 1 d . U . . .
H35A H 0.665303 0.254501 0.117850 0.055 Uiso 1 1 calc R U . . .
H35B H 0.663369 0.254503 0.134043 0.055 Uiso 1 1 calc R U . . .
H35C H 0.657900 0.300911 0.125666 0.055 Uiso 1 1 calc R U . . .
C36 C 0.9630(6) 0.4657(7) 0.11655(16) 0.022(2) Uani 1 1 d . U . . .
C37 C 0.9598(5) 0.4082(6) 0.11548(14) 0.0163(19) Uani 1 1 d . U . . .
H37 H 0.944234 0.387459 0.124133 0.020 Uiso 1 1 calc R U . . .
C38 C 1.0146(6) 0.4111(6) 0.11276(16) 0.021(2) Uani 1 1 d . U . . .
C39 C 0.9968(9) 0.4968(9) 0.1289(2) 0.033(3) Uani 1 1 d . U . . .
H39A H 0.981046 0.473617 0.136959 0.050 Uiso 1 1 calc R U . . .
H39B H 1.035429 0.505582 0.127703 0.050 Uiso 1 1 calc R U . . .
H39C H 0.995812 0.531431 0.129965 0.050 Uiso 1 1 calc R U . . .
C40 C 0.9866(7) 0.5006(8) 0.10407(19) 0.028(3) Uani 1 1 d . U . . .
H40A H 0.964383 0.480045 0.096179 0.042 Uiso 1 1 calc R U . . .
H40B H 0.985516 0.535210 0.105073 0.042 Uiso 1 1 calc R U . . .
H40C H 1.025134 0.509362 0.102811 0.042 Uiso 1 1 calc R U . . .
C41 C 0.8200(8) 0.3690(8) 0.0747(2) 0.030(3) Uani 1 1 d . U . . .
C42 C 0.8282(8) 0.3188(8) 0.07937(19) 0.030(3) Uani 1 1 d . U . . .
H42 H 0.868812 0.331637 0.078777 0.036 Uiso 1 1 calc R U . . .
C43 C 0.7964(10) 0.2659(10) 0.0700(2) 0.038(3) Uani 1 1 d . U . . .
C44 C 0.7555(9) 0.3494(10) 0.0744(2) 0.040(4) Uani 1 1 d . U . . .
H44A H 0.738735 0.332748 0.083163 0.059 Uiso 1 1 calc R U . . .
H44B H 0.750785 0.381555 0.072700 0.059 Uiso 1 1 calc R U . . .
H44C H 0.737336 0.321816 0.067221 0.059 Uiso 1 1 calc R U . . .
C45 C 0.8476(8) 0.3936(8) 0.0624(2) 0.032(3) Uani 1 1 d . U . . .
H45A H 0.841152 0.424225 0.060071 0.048 Uiso 1 1 calc R U . . .
H45B H 0.887660 0.408049 0.063506 0.048 Uiso 1 1 calc R U . . .
H45C H 0.833192 0.365657 0.055212 0.048 Uiso 1 1 calc R U . . .
C46 C 0.6800(6) 0.4989(6) 0.11894(14) 0.024(2) Uani 1 1 d D U . . .
C47 C 0.6856(6) 0.5532(7) 0.11828(16) 0.021(2) Uani 1 1 d . U . . .
H47 H 0.702100 0.572354 0.127056 0.026 Uiso 1 1 calc R U . . .
C48 C 0.6305(7) 0.5532(7) 0.11637(19) 0.028(3) Uani 1 1 d . U . . .
C49 C 0.6512(7) 0.4596(7) 0.10695(18) 0.030(3) Uani 1 1 d D U . . .
H49A H 0.649939 0.424088 0.108563 0.045 Uiso 1 1 calc R U . . .
H49B H 0.613259 0.453027 0.106016 0.045 Uiso 1 1 calc R U . . .
H49C H 0.672137 0.476502 0.098631 0.045 Uiso 1 1 calc R U . . .
C50 C 0.6471(11) 0.4674(10) 0.1317(2) 0.044(4) Uani 1 1 d D U . . .
H50A H 0.643707 0.430570 0.131934 0.066 Uiso 1 1 calc R U . . .
H50B H 0.666675 0.488457 0.139768 0.066 Uiso 1 1 calc R U . . .
H50C H 0.609870 0.463288 0.131360 0.066 Uiso 1 1 calc R U . . .
C51 C 0.9055(6) 0.6399(7) 0.12872(15) 0.021(2) Uani 1 1 d . U . . .
C52 C 0.8749(6) 0.6743(6) 0.12780(15) 0.020(2) Uani 1 1 d . U . . .
H52 H 0.890943 0.700288 0.119932 0.024 Uiso 1 1 calc R U . . .
C53 C 0.8876(7) 0.7097(7) 0.14067(17) 0.024(2) Uani 1 1 d . U . . .
C54 C 0.9657(6) 0.6728(8) 0.12896(19) 0.029(3) Uani 1 1 d . U . . .
H54A H 0.981304 0.648012 0.129549 0.043 Uiso 1 1 calc R U . . .
H54B H 0.978941 0.695014 0.120663 0.043 Uiso 1 1 calc R U . . .
H54C H 0.977653 0.697602 0.136837 0.043 Uiso 1 1 calc R U . . .
C55 C 0.8814(6) 0.5944(7) 0.14027(17) 0.025(3) Uani 1 1 d . U . . .
H55A H 0.840710 0.573329 0.139677 0.037 Uiso 1 1 calc R U . . .
H55B H 0.896028 0.568922 0.139166 0.037 Uiso 1 1 calc R U . . .
H55C H 0.892568 0.612573 0.149130 0.037 Uiso 1 1 calc R U . . .
C56 C 0.8243(6) 0.5940(6) 0.07697(15) 0.022(2) Uani 1 1 d . U . . .
C57 C 0.8168(5) 0.6451(6) 0.08181(14) 0.0175(19) Uani 1 1 d . U . . .
H57 H 0.776797 0.633921 0.080599 0.021 Uiso 1 1 calc R U . . .
C58 C 0.8505(9) 0.6958(9) 0.0735(2) 0.035(3) Uani 1 1 d . U . . .
C59 C 0.7934(9) 0.5709(8) 0.06325(19) 0.032(3) Uani 1 1 d . U . . .
H59A H 0.754614 0.561800 0.064153 0.048 Uiso 1 1 calc R U . . .
H59B H 0.811703 0.599044 0.056176 0.048 Uiso 1 1 calc R U . . .
H59C H 0.794597 0.537237 0.060801 0.048 Uiso 1 1 calc R U . . .
C60 C 0.8855(7) 0.6092(7) 0.07639(19) 0.029(3) Uani 1 1 d . U . . .
H60A H 0.902901 0.623406 0.085220 0.044 Uiso 1 1 calc R U . . .
H60B H 0.887752 0.576004 0.074096 0.044 Uiso 1 1 calc R U . . .
H60C H 0.904858 0.637811 0.069470 0.044 Uiso 1 1 calc R U . . .
C61 C 0.8105(8) 0.8248(9) 0.1193(2) 0.032(3) Uani 1 1 d . U . . .
C62 C 0.7514(8) 0.7739(8) 0.11870(19) 0.029(3) Uani 1 1 d . U . . .
H62 H 0.732085 0.770837 0.127476 0.034 Uiso 1 1 calc R U . . .
C63 C 0.7572(7) 0.7208(7) 0.11685(18) 0.025(2) Uani 1 1 d . U . . .
C64 C 0.8416(7) 0.8267(7) 0.13257(19) 0.027(3) Uani 1 1 d . U . . .
H64A H 0.816344 0.817565 0.140288 0.041 Uiso 1 1 calc R U . . .
H64B H 0.854393 0.799574 0.131999 0.041 Uiso 1 1 calc R U . . .
H64C H 0.873749 0.864077 0.133773 0.041 Uiso 1 1 calc R U . . .
C65 C 0.8427(8) 0.8372(8) 0.10748(19) 0.031(3) Uani 1 1 d . U . . .
H65A H 0.879209 0.870204 0.109035 0.046 Uiso 1 1 calc R U . . .
H65B H 0.847538 0.805580 0.105123 0.046 Uiso 1 1 calc R U . . .
H65C H 0.823858 0.844523 0.100043 0.046 Uiso 1 1 calc R U . . .
C66 C 0.7050(9) 0.8671(8) 0.07830(17) 0.034(3) Uani 1 1 d D U . . .
C67 C 0.6575(8) 0.8101(8) 0.08344(19) 0.030(3) Uani 1 1 d . U . . .
H67 H 0.669682 0.781921 0.082423 0.036 Uiso 1 1 calc R U . . .
C68 C 0.6047(11) 0.7918(11) 0.0744(3) 0.044(4) Uani 1 1 d . U . . .
C69 C 0.6893(8) 0.9127(8) 0.0780(2) 0.036(4) Uani 1 1 d D U . . .
H69A H 0.674079 0.914432 0.086856 0.055 Uiso 1 1 calc R U . . .
H69B H 0.722488 0.948622 0.076088 0.055 Uiso 1 1 calc R U . . .
H69C H 0.661314 0.904229 0.070990 0.055 Uiso 1 1 calc R U . . .
C70 C 0.7290(9) 0.8623(9) 0.06484(18) 0.036(4) Uani 1 1 d D U . . .
H70A H 0.738514 0.832714 0.065440 0.054 Uiso 1 1 calc R U . . .
H70B H 0.701438 0.853288 0.057666 0.054 Uiso 1 1 calc R U . . .
H70C H 0.762612 0.897680 0.062764 0.054 Uiso 1 1 calc R U . . .
C71 C 0.6607(10) 0.8982(10) 0.1316(2) 0.040(4) Uani 1 1 d . U . . .
C72 C 0.6303(7) 0.8357(8) 0.12960(18) 0.027(3) Uani 1 1 d . U . . .
H72 H 0.605081 0.826862 0.121617 0.033 Uiso 1 1 calc R U . . .
C73 C 0.5922(8) 0.8037(9) 0.1425(2) 0.033(3) Uani 1 1 d . U . . .
C74 C 0.6233(9) 0.9191(12) 0.1321(3) 0.045(5) Uani 1 1 d . U . . .
H74A H 0.644356 0.959581 0.133396 0.067 Uiso 1 1 calc R U . . .
H74B H 0.602137 0.910383 0.123662 0.067 Uiso 1 1 calc R U . . .
H74C H 0.597571 0.901891 0.139731 0.067 Uiso 1 1 calc R U . . .
C75 C 0.7030(7) 0.9175(7) 0.1431(2) 0.032(3) Uani 1 1 d . U . . .
H75A H 0.727007 0.901211 0.141884 0.049 Uiso 1 1 calc R U . . .
H75B H 0.725762 0.958135 0.142927 0.049 Uiso 1 1 calc R U . . .
H75C H 0.683413 0.905346 0.151731 0.049 Uiso 1 1 calc R U . . .
C76 C 0.9906(7) 1.0660(7) 0.12586(17) 0.026(3) Uani 1 1 d . U . . .
C77 C 1.0231(6) 1.1308(6) 0.12448(16) 0.021(2) Uani 1 1 d . U . . .
H77 H 1.046784 1.141005 0.116165 0.025 Uiso 1 1 calc R U . . .
C78 C 1.0609(7) 1.1580(7) 0.13670(18) 0.028(3) Uani 1 1 d . U . . .
C79 C 0.9499(8) 1.0441(7) 0.1387(2) 0.035(4) Uani 1 1 d . U . . .
H79A H 0.927282 1.062091 0.138915 0.053 Uiso 1 1 calc R U . . .
H79B H 0.925562 1.003659 0.138032 0.053 Uiso 1 1 calc R U . . .
H79C H 0.972093 1.053028 0.147010 0.053 Uiso 1 1 calc R U . . .
C80 C 1.0280(7) 1.0400(9) 0.1247(2) 0.035(3) Uani 1 1 d . U . . .
H80A H 1.005247 0.999478 0.125602 0.053 Uiso 1 1 calc R U . . .
H80B H 1.046267 1.049049 0.115790 0.053 Uiso 1 1 calc R U . . .
H80C H 1.056217 1.054794 0.131809 0.053 Uiso 1 1 calc R U . . .
C81 C 0.9276(9) 1.0917(8) 0.0756(2) 0.032(3) Uani 1 1 d . U . . .
C82 C 0.9789(10) 1.1523(9) 0.0793(2) 0.036(3) Uani 1 1 d . U . . .
H82 H 0.964747 1.179141 0.079131 0.044 Uiso 1 1 calc R U . . .
C83 C 1.0219(11) 1.1701(10) 0.0695(2) 0.040(3) Uani 1 1 d . U . . .
C84 C 0.8956(8) 1.0936(8) 0.06212(19) 0.030(3) Uani 1 1 d . U . . .
H84A H 0.883622 1.121054 0.063279 0.045 Uiso 1 1 calc R U . . .
H84B H 0.920881 1.103977 0.054349 0.045 Uiso 1 1 calc R U . . .
H84C H 0.863066 1.056790 0.060539 0.045 Uiso 1 1 calc R U . . .
C85 C 0.9457(9) 1.0504(9) 0.0739(2) 0.035(4) Uani 1 1 d . U . . .
H85A H 0.913569 1.014196 0.071670 0.053 Uiso 1 1 calc R U . . .
H85B H 0.973209 1.062310 0.066611 0.053 Uiso 1 1 calc R U . . .
H85C H 0.962535 1.047389 0.082376 0.053 Uiso 1 1 calc R U . . .
C86 C 0.8393(8) 1.1408(8) 0.1188(2) 0.030(3) Uani 1 1 d . U . . .
C87 C 0.8991(7) 1.1926(8) 0.11689(19) 0.027(3) Uani 1 1 d . U . . .
H87 H 0.922081 1.197857 0.125156 0.033 Uiso 1 1 calc R U . . .
C88 C 0.8956(10) 1.2480(10) 0.1141(2) 0.039(3) Uani 1 1 d . U . . .
C89 C 0.7957(11) 1.1256(11) 0.1078(3) 0.046(5) Uani 1 1 d . U . . .
H89A H 0.760916 1.092586 0.110545 0.069 Uiso 1 1 calc R U . . .
H89B H 0.788981 1.156771 0.106373 0.069 Uiso 1 1 calc R U . . .
H89C H 0.809019 1.117807 0.099344 0.069 Uiso 1 1 calc R U . . .
C90 C 0.8154(11) 1.1437(11) 0.1341(3) 0.046(5) Uani 1 1 d . U . . .
H90A H 0.844725 1.153543 0.140813 0.069 Uiso 1 1 calc R U . . .
H90B H 0.804034 1.171962 0.134036 0.069 Uiso 1 1 calc R U . . .
H90C H 0.783306 1.107381 0.136296 0.069 Uiso 1 1 calc R U . . .
N1 N 0.4889(7) 0.4727(6) 0.09603(14) 0.025(2) Uani 1 1 d . U . . .
H1A H 0.523476 0.483552 0.099302 0.029 Uiso 1 1 calc R U . . .
H1B H 0.468566 0.434981 0.096776 0.029 Uiso 1 1 calc R U . . .
N2 N 0.4860(6) 0.4918(6) 0.12492(14) 0.021(2) Uani 1 1 d . U . . .
H2A H 0.523630 0.508743 0.124104 0.025 Uiso 1 1 calc R U . . .
H2B H 0.478283 0.507840 0.131999 0.025 Uiso 1 1 calc R U . . .
N3 N 0.5239(6) 0.5806(6) 0.10630(14) 0.024(2) Uani 1 1 d . U . . .
H3A H 0.554007 0.575935 0.105549 0.029 Uiso 1 1 calc R U . . .
H3B H 0.521730 0.597330 0.098581 0.029 Uiso 1 1 calc R U . . .
N4 N 0.1554(7) 0.4888(7) 0.09019(15) 0.029(3) Uani 1 1 d . U . . .
H4D H 0.120110 0.478081 0.092870 0.035 Uiso 1 1 calc R U . . .
H4E H 0.175376 0.526627 0.090432 0.035 Uiso 1 1 calc R U . . .
N5 N 0.1218(5) 0.3845(6) 0.10210(13) 0.020(2) Uani 1 1 d . U . . .
H5D H 0.091737 0.389135 0.101124 0.024 Uiso 1 1 calc R U . . .
H5E H 0.124441 0.367705 0.094447 0.024 Uiso 1 1 calc R U . . .
N6 N 0.1545(6) 0.4780(6) 0.11878(15) 0.023(2) Uani 1 1 d . U . . .
H6A H 0.117240 0.461979 0.117290 0.028 Uiso 1 1 calc R U . . .
H6B H 0.159386 0.463479 0.126577 0.028 Uiso 1 1 calc R U . . .
N7 N 0.8282(6) 0.3208(6) 0.12263(15) 0.025(2) Uani 1 1 d . U . . .
H7A H 0.846029 0.301052 0.121531 0.031 Uiso 1 1 calc R U . . .
H7B H 0.842495 0.342372 0.130138 0.031 Uiso 1 1 calc R U . . .
N8 N 0.9179(6) 0.3756(6) 0.10373(14) 0.023(2) Uani 1 1 d . U . . .
H8A H 0.913242 0.340810 0.103156 0.028 Uiso 1 1 calc R U . . .
H8B H 0.932492 0.393316 0.095747 0.028 Uiso 1 1 calc R U . . .
N9 N 0.8112(6) 0.3051(6) 0.09394(15) 0.026(2) Uani 1 1 d . U . . .
H9D H 0.821222 0.280180 0.096822 0.031 Uiso 1 1 calc R U . . .
H9E H 0.773425 0.288074 0.094426 0.031 Uiso 1 1 calc R U . . .
N10 N 0.7255(5) 0.5879(5) 0.10710(14) 0.020(2) Uani 1 1 d . U . . .
H10D H 0.731388 0.623177 0.107522 0.024 Uiso 1 1 calc R U . . .
H10E H 0.709916 0.573298 0.098922 0.024 Uiso 1 1 calc R U . . .
N11 N 0.8150(5) 0.6377(6) 0.12523(13) 0.021(2) Uani 1 1 d . U . . .
H11A H 0.798879 0.659103 0.124306 0.025 Uiso 1 1 calc R U . . .
H11B H 0.799424 0.615347 0.132566 0.025 Uiso 1 1 calc R U . . .
N12 N 0.8296(6) 0.6552(6) 0.09603(15) 0.025(2) Uani 1 1 d . U . . .
H12A H 0.817848 0.678778 0.098913 0.030 Uiso 1 1 calc R U . . .
H12B H 0.867260 0.673469 0.096911 0.030 Uiso 1 1 calc R U . . .
N13 N 0.7201(7) 0.7803(6) 0.10780(15) 0.026(2) Uani 1 1 d . U . . .
H13A H 0.685335 0.749897 0.107561 0.031 Uiso 1 1 calc R U . . .
H13B H 0.737030 0.782078 0.099782 0.031 Uiso 1 1 calc R U . . .
N14 N 0.6487(7) 0.8158(8) 0.09812(17) 0.033(3) Uani 1 1 d . U . . .
H14D H 0.624405 0.781277 0.101360 0.040 Uiso 1 1 calc R U . . .
H14E H 0.631963 0.836655 0.098842 0.040 Uiso 1 1 calc R U . . .
N15 N 0.6669(7) 0.8135(6) 0.12687(15) 0.028(3) Uani 1 1 d . U . . .
H15D H 0.646131 0.775954 0.125727 0.034 Uiso 1 1 calc R U . . .
H15E H 0.689761 0.820158 0.134091 0.034 Uiso 1 1 calc R U . . .
N16 N 0.9803(5) 1.1480(5) 0.12255(13) 0.0200(19) Uani 1 1 d . U . . .
H16A H 0.998166 1.185697 0.121640 0.024 Uiso 1 1 calc R U . . .
H16B H 0.959154 1.139184 0.130183 0.024 Uiso 1 1 calc R U . . .
N17 N 0.9924(7) 1.1474(7) 0.09359(16) 0.030(3) Uani 1 1 d . U . . .
H17A H 1.017819 1.182014 0.096526 0.036 Uiso 1 1 calc R U . . .
H17B H 1.009271 1.126488 0.093687 0.036 Uiso 1 1 calc R U . . .
N18 N 0.9242(7) 1.1821(7) 0.10541(16) 0.028(2) Uani 1 1 d . U . . .
H18A H 0.958807 1.211985 0.104165 0.033 Uiso 1 1 calc R U . . .
H18B H 0.903701 1.178894 0.097920 0.033 Uiso 1 1 calc R U . . .
O1 O 0.5365(8) 0.4730(9) 0.06216(18) 0.049(4) Uani 1 1 d . U . . .
O2 O 0.5034(8) 0.4083(8) 0.07821(19) 0.047(4) Uani 1 1 d . U . . .
O3 O 0.4959(6) 0.4523(6) 0.15095(15) 0.032(3) Uani 1 1 d . U . . .
O4 O 0.4924(7) 0.3786(6) 0.14086(15) 0.035(3) Uani 1 1 d . U . . .
O5 O 0.6024(7) 0.6952(7) 0.10438(16) 0.038(3) Uani 1 1 d . U . . .
O6 O 0.6102(6) 0.6979(6) 0.12670(14) 0.031(2) Uani 1 1 d . U . . .
O7 O 0.1358(9) 0.5433(8) 0.0705(2) 0.050(4) Uani 1 1 d . U . . .
O8 O 0.1151(9) 0.4728(9) 0.0551(2) 0.055(4) Uani 1 1 d . U . . .
O9 O 0.0433(7) 0.2673(7) 0.10102(16) 0.038(3) Uani 1 1 d . U . . .
O10 O 0.0347(6) 0.2694(6) 0.12310(15) 0.033(2) Uani 1 1 d . U . . .
O11 O 0.1469(7) 0.5944(7) 0.13101(17) 0.039(3) Uani 1 1 d . U . . .
O12 O 0.1329(8) 0.5205(7) 0.14226(17) 0.041(3) Uani 1 1 d . U . . .
O13 O 0.7907(8) 0.2619(8) 0.14706(17) 0.044(3) Uani 1 1 d . U . . .
O14 O 0.7133(8) 0.1937(8) 0.13654(19) 0.048(4) Uani 1 1 d . U . . .
O15 O 1.0407(6) 0.4104(7) 0.12300(15) 0.034(3) Uani 1 1 d . U . . .
O16 O 1.0343(6) 0.4170(7) 0.10020(15) 0.034(3) Uani 1 1 d . U . . .
O17 O 0.8135(11) 0.2726(11) 0.0581(2) 0.068(6) Uani 1 1 d . U . . .
O18 O 0.7603(9) 0.2236(9) 0.0753(2) 0.055(4) Uani 1 1 d . U . . .
O19 O 0.6094(6) 0.5463(6) 0.10464(14) 0.030(2) Uani 1 1 d . U . . .
O20 O 0.6029(5) 0.5516(6) 0.12712(13) 0.026(2) Uani 1 1 d . U . . .
O21 O 0.8585(7) 0.6906(6) 0.15097(15) 0.034(3) Uani 1 1 d . U . . .
O22 O 0.9300(6) 0.7606(7) 0.13998(17) 0.037(3) Uani 1 1 d . U . . .
O23 O 0.8968(7) 0.7313(7) 0.07826(17) 0.039(3) Uani 1 1 d . U . . .
O24 O 0.8347(8) 0.6994(7) 0.06222(17) 0.043(3) Uani 1 1 d . U . . .
O25 O 0.7616(6) 0.7048(5) 0.10494(13) 0.029(2) Uani 1 1 d . U . . .
O26 O 0.7571(5) 0.6966(5) 0.12735(13) 0.026(2) Uani 1 1 d . U . . .
O27 O 0.6047(9) 0.7735(10) 0.0637(2) 0.056(5) Uani 1 1 d . U . . .
O28 O 0.5688(7) 0.8020(9) 0.0798(2) 0.049(4) Uani 1 1 d . U . . .
O29 O 0.5432(6) 0.7972(8) 0.14127(18) 0.042(3) Uani 1 1 d . U . . .
O30 O 0.6137(7) 0.7949(7) 0.15234(16) 0.038(3) Uani 1 1 d . U . . .
O31 O 1.1122(6) 1.1653(7) 0.13521(15) 0.036(3) Uani 1 1 d . U . . .
O32 O 1.0460(6) 1.1726(6) 0.14624(16) 0.033(3) Uani 1 1 d . U . . .
O33 O 1.0711(10) 1.1769(11) 0.0739(2) 0.060(5) Uani 1 1 d . U . . .
O34 O 1.0193(9) 1.1850(10) 0.0589(2) 0.056(4) Uani 1 1 d . U . . .
O35 O 0.8827(8) 1.2557(8) 0.10262(18) 0.045(3) Uani 1 1 d . U . . .
O36 O 0.9007(7) 1.2750(7) 0.12422(18) 0.042(3) Uani 1 1 d . U . . .
Na1 Na 0.6581(4) 0.6489(4) 0.06672(9) 0.0354(16) Uani 1 1 d . U . . .
Na2 Na 0.0012(3) 0.3387(3) 0.16570(8) 0.0298(14) Uani 1 1 d . U . . .
O1W O 0.7264(8) 0.6481(9) 0.05151(19) 0.048(4) Uani 1 1 d . U . . .
O2W O 0.6655(7) 0.5793(7) 0.07962(15) 0.036(3) Uani 1 1 d . U . . .
O3W O 0.5866(8) 0.5831(9) 0.0522(2) 0.049(4) Uani 1 1 d . U . . .
O4W O 0.5811(7) 0.6390(8) 0.07982(17) 0.042(3) Uani 1 1 d . U . . .
O5W O 0.6593(10) 0.7201(10) 0.0518(2) 0.055(4) Uani 1 1 d . U . . .
O6W O 0.7261(7) 0.7263(7) 0.07984(16) 0.039(3) Uani 1 1 d . U . . .
O7W O 0.0166(6) 0.2795(6) 0.17983(14) 0.030(2) Uani 1 1 d . U . . .
O8W O 0.0617(6) 0.3239(6) 0.14918(14) 0.030(2) Uani 1 1 d . U . . .
O9W O -0.0738(7) 0.2688(7) 0.15225(17) 0.041(3) Uani 1 1 d . U . . .
O10W O -0.0709(7) 0.3328(8) 0.17987(15) 0.038(3) Uani 1 1 d . U . . .
O11W O 0.0687(6) 0.4182(7) 0.17972(15) 0.034(3) Uani 1 1 d . U . . .
O12W O 0.0114(6) 0.4069(6) 0.14993(16) 0.033(3) Uani 1 1 d . U . . .
S1 S 0.41885(16) 0.51784(16) 0.08855(4) 0.0236(7) Uani 1 1 d . U . . .
S2 S 0.38156(14) 0.41876(15) 0.11145(4) 0.0207(6) Uani 1 1 d . U . . .
S3 S 0.42196(15) 0.54978(14) 0.12075(4) 0.0199(6) Uani 1 1 d . U . . .
S4 S 0.22831(16) 0.44299(18) 0.08526(4) 0.0238(7) Uani 1 1 d . U . . .
S5 S 0.21822(14) 0.41597(14) 0.11778(4) 0.0186(6) Uani 1 1 d . U . . .
S6 S 0.26320(16) 0.54569(16) 0.10668(4) 0.0223(6) Uani 1 1 d . U . . .
S7 S 0.75722(15) 0.35659(17) 0.11073(4) 0.0218(6) Uani 1 1 d . U . . .
S8 S 0.88894(16) 0.44402(16) 0.12023(4) 0.0216(6) Uani 1 1 d . U . . .
S9 S 0.85424(17) 0.42052(17) 0.08812(4) 0.0238(7) Uani 1 1 d . U . . .
S10 S 0.75269(15) 0.51373(16) 0.12204(4) 0.0213(6) Uani 1 1 d . U . . .
S11 S 0.88366(16) 0.60184(16) 0.11179(4) 0.0215(6) Uani 1 1 d . U . . .
S12 S 0.78244(15) 0.53803(16) 0.08966(4) 0.0217(6) Uani 1 1 d . U . . .
S13 S 0.79016(16) 0.87969(16) 0.12269(4) 0.0230(6) Uani 1 1 d . U . . .
S14 S 0.76163(17) 0.88520(18) 0.09073(5) 0.0272(7) Uani 1 1 d . U . . .
S15 S 0.69789(17) 0.91890(16) 0.11424(5) 0.0253(7) Uani 1 1 d . U . . .
S16 S 0.94436(13) 1.04272(13) 0.11055(4) 0.0178(6) Uani 1 1 d . U . . .
S17 S 0.87627(15) 1.07614(15) 0.08902(4) 0.0220(6) Uani 1 1 d . U . . .
S18 S 0.85896(19) 1.08587(18) 0.12174(5) 0.0275(7) Uani 1 1 d . U . . .
Co1 Co 0.45435(8) 0.50475(9) 0.10791(2) 0.0197(4) Uani 1 1 d . U . . .
Co2 Co 0.18897(8) 0.45869(9) 0.10345(2) 0.0200(3) Uani 1 1 d . U . . .
Co3 Co 0.84354(9) 0.36987(9) 0.10665(2) 0.0224(4) Uani 1 1 d . U . . .
Co4 Co 0.79805(8) 0.58979(8) 0.10872(2) 0.0181(3) Uani 1 1 d . U . . .
Co5 Co 0.93057(9) 1.11478(9) 0.10702(3) 0.0239(4) Uani 1 1 d . U . . .
Co6 Co 0.71385(10) 0.84847(10) 0.10994(3) 0.0265(4) Uani 1 1 d . U . . .
Au1 Au 0.32312(2) 0.48156(3) 0.08744(2) 0.02379(10) Uani 1 1 d . U . . .
Au2 Au 0.30100(2) 0.42061(2) 0.11341(2) 0.02258(10) Uani 1 1 d . U . . .
Au3 Au 0.34218(2) 0.54466(2) 0.11302(2) 0.02378(11) Uani 1 1 d . U . . .
Au4 Au 0.75814(2) 0.43768(2) 0.11560(2) 0.02311(11) Uani 1 1 d . U . . .
Au5 Au 0.88174(2) 0.52006(2) 0.11497(2) 0.02266(10) Uani 1 1 d . U . . .
Au6 Au 0.81756(2) 0.47879(2) 0.08946(2) 0.02283(10) Uani 1 1 d . U . . .
Au7 Au 0.86527(2) 0.96251(2) 0.11592(2) 0.02408(11) Uani 1 1 d . U . . .
Au8 Au 0.81957(2) 0.98053(2) 0.09064(2) 0.02566(12) Uani 1 1 d . U . . .
Au9 Au 0.78116(2) 1.00197(2) 0.11699(2) 0.02856(13) Uani 1 1 d . U . . .
C91 C 1.2936(11) 1.1572(9) 0.0948(3) 0.063(5) Uani 1 1 d D U . . .
H91 H 1.263715 1.141772 0.101824 0.076 Uiso 1 1 calc R U . . .
C92 C 1.3238(11) 1.1233(9) 0.0943(3) 0.071(6) Uani 1 1 d D U . . .
H92 H 1.349218 1.133650 0.086320 0.086 Uiso 1 1 calc R U . . .
O37 O 1.2844(11) 1.0648(9) 0.0946(3) 0.076(6) Uani 1 1 d D U . . .
H37A H 1.265434 1.055758 0.087412 0.114 Uiso 1 1 calc DR U . . .
C93 C 1.3556(10) 1.1359(8) 0.1076(3) 0.070(6) Uani 1 1 d D U . . .
H93 H 1.328832 1.123771 0.115308 0.084 Uiso 1 1 calc R U . . .
O38 O 1.3842(14) 1.1054(13) 0.1078(3) 0.103(9) Uani 1 1 d D U . . .
H38 H 1.377764 1.087201 0.100544 0.155 Uiso 1 1 calc R U . . .
C94 C 1.3973(7) 1.1977(8) 0.1089(2) 0.055(4) Uani 1 1 d D U . . .
H94 H 1.419918 1.205048 0.117314 0.066 Uiso 1 1 calc R U . . .
O39 O 1.3669(7) 1.2257(8) 0.10938(16) 0.048(3) Uani 1 1 d D U . . .
C95 C 1.3341(9) 1.2181(9) 0.0975(2) 0.053(4) Uani 1 1 d D U . . .
H95 H 1.359607 1.234202 0.089553 0.064 Uiso 1 1 calc R U . . .
C96 C 1.3077(11) 1.2525(10) 0.1003(2) 0.055(5) Uani 1 1 d D U . . .
H96A H 1.337284 1.291252 0.102087 0.066 Uiso 1 1 calc R U . . .
H96B H 1.287546 1.253012 0.092024 0.066 Uiso 1 1 calc R U . . .
O40 O 1.2699(9) 1.2334(10) 0.1113(2) 0.062(5) Uani 1 1 d D U . . .
H40 H 1.256798 1.254662 0.112415 0.092 Uiso 1 1 calc R U . . .
O41 O 1.4324(7) 1.2117(8) 0.09715(16) 0.047(3) Uani 1 1 d D U . . .
C97 C 1.4924(7) 1.2426(6) 0.09995(19) 0.036(3) Uani 1 1 d D U . . .
H97 H 1.499381 1.237764 0.109658 0.043 Uiso 1 1 calc R U . . .
C98 C 1.5170(7) 1.2161(7) 0.0908(2) 0.040(3) Uani 1 1 d D U . . .
H98 H 1.504633 1.215693 0.081274 0.048 Uiso 1 1 calc R U . . .
O42 O 1.4972(9) 1.1598(7) 0.0952(2) 0.056(4) Uani 1 1 d D U . . .
H42A H 1.462344 1.141477 0.094628 0.084 Uiso 1 1 calc R U . . .
C99 C 1.5788(7) 1.2511(7) 0.0916(2) 0.042(4) Uani 1 1 d D U . . .
H99 H 1.589932 1.250139 0.101138 0.051 Uiso 1 1 calc R U . . .
O43 O 1.6048(8) 1.2283(7) 0.08331(18) 0.055(4) Uani 1 1 d D U . . .
H43 H 1.580259 1.199955 0.079278 0.082 Uiso 1 1 calc R U . . .
C100 C 1.5988(7) 1.3111(7) 0.08802(16) 0.035(3) Uani 1 1 d D U . . .
H100 H 1.640347 1.333014 0.088489 0.042 Uiso 1 1 calc R U . . .
O44 O 1.5763(5) 1.3338(5) 0.09684(13) 0.031(2) Uani 1 1 d D U . . .
C101 C 1.5159(6) 1.3039(6) 0.09681(17) 0.033(3) Uani 1 1 d D U . . .
H101 H 1.503143 1.306908 0.087543 0.040 Uiso 1 1 calc R U . . .
C102 C 1.4990(9) 1.3340(9) 0.10639(17) 0.039(4) Uani 1 1 d D U . . .
H10F H 1.521225 1.374456 0.104526 0.046 Uiso 1 1 calc R U . . .
H10G H 1.459346 1.322271 0.104812 0.046 Uiso 1 1 calc R U . . .
O45 O 1.5062(9) 1.3242(9) 0.12029(15) 0.053(4) Uani 1 1 d D U . . .
H45 H 1.496033 1.341930 0.125306 0.079 Uiso 1 1 calc R U . . .
O46 O 1.5808(7) 1.3112(7) 0.07430(14) 0.042(3) Uani 1 1 d D U . . .
C103 C 1.6191(8) 1.3379(7) 0.06355(16) 0.033(3) Uani 1 1 d D U . . .
H103 H 1.658022 1.351300 0.066686 0.039 Uiso 1 1 calc R U . . .
C104 C 1.6033(10) 1.2947(8) 0.05212(18) 0.048(4) Uani 1 1 d D U . . .
H104 H 1.562073 1.271682 0.050902 0.057 Uiso 1 1 calc R U . . .
O47 O 1.6280(11) 1.2610(9) 0.0552(2) 0.067(5) Uani 1 1 d D U . . .
H47A H 1.613401 1.242561 0.062295 0.100 Uiso 1 1 calc R U . . .
C105 C 1.6320(11) 1.3233(9) 0.03934(19) 0.053(4) Uani 1 1 d D U . . .
H105 H 1.672731 1.340809 0.041196 0.064 Uiso 1 1 calc R U . . .
O48 O 1.6203(12) 1.2843(10) 0.0287(2) 0.075(7) Uani 1 1 d D U . . .
H48 H 1.597964 1.252114 0.031516 0.113 Uiso 1 1 calc R U . . .
C106 C 1.6218(8) 1.3704(8) 0.03582(19) 0.045(4) Uani 1 1 d D U . . .
H106 H 1.640841 1.388306 0.027124 0.055 Uiso 1 1 calc R U . . .
O49 O 1.6414(6) 1.4097(6) 0.04637(13) 0.036(3) Uani 1 1 d D U . . .
C107 C 1.6124(8) 1.3870(6) 0.05900(15) 0.034(3) Uani 1 1 d D U . . .
H107 H 1.571942 1.374039 0.057754 0.041 Uiso 1 1 calc R U . . .
C108 C 1.6368(10) 1.4342(7) 0.06875(19) 0.039(4) Uani 1 1 d D U . . .
H10H H 1.617304 1.420749 0.077523 0.046 Uiso 1 1 calc R U . . .
H10I H 1.676254 1.445154 0.070231 0.046 Uiso 1 1 calc R U . . .
O50 O 1.6345(9) 1.4831(7) 0.06490(19) 0.050(4) Uani 1 1 d D U . . .
H50 H 1.601102 1.474749 0.063932 0.074 Uiso 1 1 calc R U . . .
O51 O 1.5612(7) 1.3420(8) 0.03412(18) 0.050(4) Uani 1 1 d D U . . .
C109 C 1.5382(9) 1.3508(9) 0.0225(2) 0.050(4) Uani 1 1 d D U . . .
H109 H 1.568916 1.373164 0.015924 0.060 Uiso 1 1 calc R U . . .
C110 C 1.4989(9) 1.2948(9) 0.0161(2) 0.050(4) Uani 1 1 d D U . . .
H110 H 1.471088 1.270526 0.023052 0.060 Uiso 1 1 calc R U . . .
O52 O 1.5267(12) 1.2675(11) 0.0111(3) 0.079(7) Uani 1 1 d D U . . .
H52A H 1.543304 1.262010 0.017546 0.118 Uiso 1 1 calc R U . . .
C111 C 1.4691(10) 1.3049(10) 0.0049(2) 0.070(5) Uani 1 1 d D U . . .
H111 H 1.496350 1.325650 -0.002443 0.084 Uiso 1 1 calc R U . . .
O53 O 1.4290(11) 1.2528(11) -0.0001(3) 0.100(8) Uani 1 1 d D U . . .
H53 H 1.411608 1.257288 -0.006503 0.150 Uiso 1 1 calc R U . . .
C112 C 1.4426(10) 1.3387(9) 0.0094(2) 0.069(5) Uani 1 1 d D U . . .
H112 H 1.422746 1.344211 0.001609 0.083 Uiso 1 1 calc R U . . .
O54 O 1.4820(7) 1.3902(7) 0.01477(17) 0.052(4) Uani 1 1 d D U . . .
C113 C 1.5104(10) 1.3838(9) 0.0264(2) 0.054(4) Uani 1 1 d D U . . .
H113 H 1.483209 1.364381 0.033851 0.065 Uiso 1 1 calc R U . . .
C114 C 1.5485(10) 1.4423(9) 0.0301(3) 0.057(5) Uani 1 1 d D U . . .
H11C H 1.573758 1.443516 0.037354 0.068 Uiso 1 1 calc R U . . .
H11D H 1.571663 1.462254 0.022161 0.068 Uiso 1 1 calc R U . . .
O55 O 1.5205(13) 1.4709(12) 0.0347(3) 0.086(7) Uani 1 1 d D U . . .
H55 H 1.544142 1.503999 0.036598 0.129 Uiso 1 1 calc R U . . .
O56 O 1.4030(9) 1.3028(10) 0.0195(2) 0.065(5) Uani 1 1 d D U . . .
C115 C 1.3460(11) 1.2950(11) 0.0194(3) 0.068(5) Uani 1 1 d D U . . .
H115 H 1.341539 1.316372 0.011799 0.082 Uiso 1 1 calc R U . . .
C116 C 1.3072(11) 1.2326(11) 0.0175(3) 0.079(6) Uani 1 1 d D U . . .
H116 H 1.316097 1.212073 0.024482 0.095 Uiso 1 1 calc R U . . .
O57 O 1.3054(12) 1.2092(14) 0.0044(3) 0.111(10) Uani 1 1 d D U . . .
H57A H 1.336840 1.213589 0.002566 0.167 Uiso 1 1 calc R U . . .
C117 C 1.2483(11) 1.2205(12) 0.0196(3) 0.087(7) Uani 1 1 d D U . . .
H117 H 1.240779 1.241801 0.012517 0.104 Uiso 1 1 calc R U . . .
O58 O 1.2107(14) 1.1632(12) 0.0172(4) 0.120(10) Uani 1 1 d D U . . .
H58 H 1.177903 1.156759 0.018126 0.180 Uiso 1 1 calc R U . . .
C118 C 1.2411(11) 1.2406(10) 0.0332(2) 0.074(6) Uani 1 1 d D U . . .
H118 H 1.201636 1.231579 0.034455 0.089 Uiso 1 1 calc R U . . .
O59 O 1.2774(9) 1.2983(9) 0.0346(2) 0.070(5) Uani 1 1 d D U . . .
C119 C 1.3357(9) 1.3142(9) 0.0330(2) 0.062(5) Uani 1 1 d D U . . .
H119 H 1.346268 1.296731 0.040416 0.075 Uiso 1 1 calc R U . . .
C120 C 1.3652(13) 1.3757(10) 0.0351(3) 0.070(6) Uani 1 1 d D U . . .
H12C H 1.353578 1.383641 0.043848 0.083 Uiso 1 1 calc R U . . .
H12D H 1.405739 1.389585 0.035555 0.083 Uiso 1 1 calc R U . . .
O60 O 1.3552(13) 1.4054(12) 0.0247(3) 0.087(8) Uani 1 1 d D U . . .
H60 H 1.320951 1.393922 0.024169 0.130 Uiso 1 1 calc R U . . .
O61 O 1.2550(11) 1.2106(10) 0.0431(2) 0.068(5) Uani 1 1 d D U . . .
C121 C 1.2188(15) 1.1796(10) 0.0531(2) 0.064(5) Uani 1 1 d D U . . .
H121 H 1.179819 1.167912 0.050325 0.077 Uiso 1 1 calc R U . . .
C122 C 1.2251(13) 1.1283(9) 0.0552(2) 0.063(5) Uani 1 1 d D U . . .
H122 H 1.265368 1.141454 0.056795 0.075 Uiso 1 1 calc R U . . .
O62 O 1.2073(11) 1.0909(10) 0.0440(2) 0.069(6) Uani 1 1 d D U . . .
H62A H 1.225963 1.107501 0.037149 0.103 Uiso 1 1 calc R U . . .
C123 C 1.1937(11) 1.0976(8) 0.06748(18) 0.063(5) Uani 1 1 d D U . . .
H123 H 1.153643 1.085541 0.065814 0.075 Uiso 1 1 calc R U . . .
O63 O 1.1968(9) 1.0487(9) 0.0695(2) 0.072(6) Uani 1 1 d D U . . .
H63 H 1.177669 1.031531 0.076302 0.107 Uiso 1 1 calc R U . . .
C124 C 1.2119(9) 1.1358(9) 0.0796(2) 0.056(4) Uani 1 1 d D U . . .
H124 H 1.189667 1.114424 0.087617 0.067 Uiso 1 1 calc R U . . .
O64 O 1.2047(8) 1.1816(8) 0.07759(17) 0.055(4) Uani 1 1 d D U . . .
C125 C 1.2343(12) 1.2151(10) 0.0658(2) 0.066(5) Uani 1 1 d D U . . .
H125 H 1.275226 1.232062 0.067431 0.080 Uiso 1 1 calc R U . . .
C126 C 1.2207(13) 1.2603(11) 0.0652(3) 0.080(7) Uani 1 1 d D U . . .
H12E H 1.224563 1.276260 0.074377 0.096 Uiso 1 1 calc R U . . .
H12F H 1.247994 1.290231 0.059247 0.096 Uiso 1 1 calc R U . . .
O65 O 1.1652(13) 1.2427(15) 0.0602(3) 0.098(9) Uani 1 1 d D U . . .
H65 H 1.141690 1.217456 0.065255 0.147 Uiso 1 1 calc R U . . .
O66 O 1.2695(8) 1.1504(9) 0.08154(19) 0.054(4) Uani 1 1 d D U . . .
C127 C 1.1527(8) 0.7881(8) 0.0932(2) 0.048(4) Uani 1 1 d D U . . .
H127 H 1.168294 0.773508 0.100213 0.057 Uiso 1 1 calc R U . . .
C128 C 1.1842(9) 0.8523(9) 0.0933(3) 0.060(5) Uani 1 1 d D U . . .
H128 H 1.172183 0.867099 0.085536 0.072 Uiso 1 1 calc R U . . .
O67 O 1.2432(8) 0.8729(10) 0.0928(3) 0.070(6) Uani 1 1 d D U . . .
H67A H 1.251247 0.863186 0.085481 0.106 Uiso 1 1 calc DR U . . .
C129 C 1.1729(9) 0.8711(10) 0.1067(3) 0.066(5) Uani 1 1 d D U . . .
H129 H 1.186398 0.856977 0.114255 0.080 Uiso 1 1 calc R U . . .
O68 O 1.2005(11) 0.9295(9) 0.1071(3) 0.098(8) Uani 1 1 d D U . . .
H68 H 1.217085 0.942387 0.099748 0.148 Uiso 1 1 calc R U . . .
C130 C 1.1105(8) 0.8461(8) 0.1078(2) 0.054(4) Uani 1 1 d D U . . .
H130 H 1.101681 0.859437 0.116308 0.065 Uiso 1 1 calc R U . . .
O69 O 1.0815(7) 0.7876(7) 0.10775(15) 0.046(3) Uani 1 1 d D U . . .
C131 C 1.0907(8) 0.7647(7) 0.09537(19) 0.042(4) Uani 1 1 d D U . . .
H131 H 1.074553 0.774249 0.087468 0.050 Uiso 1 1 calc R U . . .
C132 C 1.0597(11) 0.7033(8) 0.0976(2) 0.053(5) Uani 1 1 d D U . . .
H13C H 1.019892 0.691102 0.098965 0.063 Uiso 1 1 calc R U . . .
H13D H 1.062694 0.684877 0.089330 0.063 Uiso 1 1 calc R U . . .
O70 O 1.0784(8) 0.6851(8) 0.10875(17) 0.048(4) Uani 1 1 d D U . . .
H70 H 1.111664 0.693612 0.107515 0.071 Uiso 1 1 calc R U . . .
O71 O 1.0937(7) 0.8666(7) 0.09639(16) 0.041(3) Uani 1 1 d D U . . .
C133 C 1.0630(6) 0.8958(6) 0.09973(18) 0.033(3) Uani 1 1 d D U . . .
H133 H 1.067140 0.906655 0.109502 0.039 Uiso 1 1 calc R U . . .
C134 C 1.0872(6) 0.9466(6) 0.09049(17) 0.030(3) Uani 1 1 d D U . . .
H134 H 1.086724 0.934229 0.080954 0.035 Uiso 1 1 calc R U . . .
O72 O 1.1434(6) 0.9854(8) 0.09423(19) 0.051(4) Uani 1 1 d D U . . .
H72A H 1.162704 0.969851 0.093737 0.077 Uiso 1 1 calc R U . . .
C135 C 1.0527(6) 0.9742(6) 0.09129(17) 0.032(3) Uani 1 1 d D U . . .
H135 H 1.053632 0.986498 0.100849 0.038 Uiso 1 1 calc R U . . .
O73 O 1.0746(6) 1.0210(6) 0.08303(14) 0.039(3) Uani 1 1 d D U . . .
H73 H 1.102667 1.024290 0.078937 0.058 Uiso 1 1 calc R U . . .
C136 C 0.9924(6) 0.9318(6) 0.08774(15) 0.030(3) Uani 1 1 d D U . . .
H136 H 0.968725 0.949534 0.088199 0.036 Uiso 1 1 calc R U . . .
O74 O 0.9727(6) 0.8871(6) 0.09682(13) 0.034(2) Uani 1 1 d D U . . .
C137 C 1.0024(7) 0.8560(6) 0.09604(18) 0.035(3) Uani 1 1 d D U . . .
H137 H 0.999803 0.841309 0.086671 0.041 Uiso 1 1 calc R U . . .
C138 C 0.9724(8) 0.8093(7) 0.10573(16) 0.037(3) Uani 1 1 d D U . . .
H13E H 0.932005 0.791001 0.103850 0.045 Uiso 1 1 calc R U . . .
H13F H 0.984235 0.781461 0.104170 0.045 Uiso 1 1 calc R U . . .
O75 O 0.9817(7) 0.8257(7) 0.11956(14) 0.042(3) Uani 1 1 d D U . . .
H75 H 0.963868 0.797657 0.124509 0.063 Uiso 1 1 calc R U . . .
O76 O 0.9950(6) 0.9155(6) 0.07405(12) 0.028(2) Uani 1 1 d D U . . .
C139 C 0.9634(6) 0.9226(6) 0.06374(15) 0.027(3) Uani 1 1 d D U . . .
H139 H 0.947505 0.945105 0.067517 0.033 Uiso 1 1 calc R U . . .
C140 C 1.0048(8) 0.9565(8) 0.05252(17) 0.041(4) Uani 1 1 d D U . . .
H140 H 1.029320 0.940563 0.050478 0.050 Uiso 1 1 calc R U . . .
O77 O 1.0381(9) 1.0141(8) 0.0560(2) 0.064(5) Uani 1 1 d D U . . .
H77A H 1.057291 1.017191 0.062912 0.097 Uiso 1 1 calc R U . . .
C141 C 0.9732(8) 0.9553(8) 0.04000(18) 0.048(4) Uani 1 1 d D U . . .
H141 H 0.952578 0.975351 0.042105 0.058 Uiso 1 1 calc R U . . .
O78 O 1.0090(10) 0.9826(8) 0.02897(18) 0.063(5) Uani 1 1 d D U . . .
H78 H 1.041994 0.993297 0.031248 0.094 Uiso 1 1 calc R U . . .
C142 C 0.9305(7) 0.8953(7) 0.03660(17) 0.040(3) Uani 1 1 d D U . . .
H142 H 0.911146 0.895569 0.028083 0.048 Uiso 1 1 calc R U . . .
O79 O 0.8902(7) 0.8712(8) 0.04677(14) 0.046(3) Uani 1 1 d D U . . .
C143 C 0.9156(7) 0.8667(7) 0.05918(16) 0.036(3) Uani 1 1 d D U . . .
H143 H 0.930163 0.840713 0.057616 0.043 Uiso 1 1 calc R U . . .
C144 C 0.8696(7) 0.8411(7) 0.06910(18) 0.035(3) Uani 1 1 d D U . . .
H14F H 0.883285 0.831786 0.077383 0.042 Uiso 1 1 calc R U . . .
H14G H 0.858590 0.868829 0.071618 0.042 Uiso 1 1 calc R U . . .
O80 O 0.8217(8) 0.7921(8) 0.0643(2) 0.056(5) Uani 1 1 d D U . . .
H80 H 0.830374 0.767936 0.062416 0.085 Uiso 1 1 calc R U . . .
O81 O 0.9621(8) 0.8682(8) 0.03367(19) 0.051(4) Uani 1 1 d D U . . .
C145 C 0.9534(10) 0.8403(8) 0.0214(3) 0.057(5) Uani 1 1 d D U . . .
H145 H 0.926635 0.845134 0.015566 0.069 Uiso 1 1 calc R U . . .
C146 C 1.0101(11) 0.8632(9) 0.0143(2) 0.063(5) Uani 1 1 d D U . . .
H146 H 1.036645 0.863367 0.021204 0.076 Uiso 1 1 calc R U . . .
O82 O 1.0324(9) 0.9192(7) 0.0098(2) 0.064(5) Uani 1 1 d D U . . .
H82A H 1.034248 0.939385 0.016326 0.096 Uiso 1 1 calc R U . . .
C147 C 1.0081(11) 0.8264(7) 0.0029(3) 0.071(6) Uani 1 1 d D U . . .
H147 H 0.983095 0.827991 -0.004151 0.086 Uiso 1 1 calc R U . . .
O83 O 1.0601(11) 0.8453(12) -0.0033(3) 0.090(8) Uani 1 1 d D U . . .
H83 H 1.084547 0.873338 0.000872 0.134 Uiso 1 1 calc R U . . .
C148 C 0.9814(9) 0.7669(9) 0.0075(2) 0.069(5) Uani 1 1 d D U . . .
H148 H 0.977099 0.743017 -0.000558 0.083 Uiso 1 1 calc R U . . .
O84 O 0.9287(8) 0.7487(8) 0.01316(19) 0.060(4) Uani 1 1 d D U . . .
C149 C 0.9301(10) 0.7797(9) 0.0252(2) 0.060(5) Uani 1 1 d D U . . .
H149 H 0.954167 0.776501 0.032255 0.072 Uiso 1 1 calc R U . . .
C150 C 0.8725(10) 0.7529(10) 0.0299(3) 0.055(5) Uani 1 1 d D U . . .
H15F H 0.869542 0.777062 0.036854 0.066 Uiso 1 1 calc R U . . .
H15G H 0.848460 0.750250 0.022224 0.066 Uiso 1 1 calc R U . . .
O85 O 0.8514(12) 0.6987(9) 0.0356(2) 0.077(6) Uani 1 1 d D U . . .
H85 H 0.818079 0.685990 0.037868 0.115 Uiso 1 1 calc R U . . .
O86 O 1.0192(11) 0.7632(12) 0.0170(2) 0.080(6) Uani 1 1 d D U . . .
C151 C 1.0252(14) 0.7159(18) 0.0171(4) 0.109(8) Uani 1 1 d D U . . .
H151 H 0.997941 0.691153 0.010155 0.131 Uiso 1 1 calc R U . . .
C152 C 1.0816(12) 0.7289(15) 0.0112(3) 0.127(9) Uani 1 1 d D U . . .
H152 H 1.069831 0.696634 0.004912 0.153 Uiso 1 1 calc R U . . .
O87 O 1.1104(16) 0.7744(16) 0.0020(3) 0.144(12) Uani 1 1 d D U . . .
H87A H 1.088539 0.772668 -0.004064 0.216 Uiso 1 1 calc R U . . .
C153 C 1.1205(12) 0.7217(16) 0.0203(3) 0.129(9) Uani 1 1 d D U . . .
H153 H 1.138488 0.755809 0.026131 0.155 Uiso 1 1 calc R U . . .
O88 O 1.1645(13) 0.7212(19) 0.0132(4) 0.136(12) Uani 1 1 d D U . . .
H88 H 1.188443 0.723097 0.018688 0.204 Uiso 1 1 calc R U . . .
C154 C 1.0905(13) 0.6731(14) 0.0301(3) 0.119(8) Uani 1 1 d D U . . .
H154 H 1.104813 0.646535 0.029224 0.143 Uiso 1 1 calc R U . . .
O89 O 1.0327(12) 0.6449(12) 0.0298(3) 0.113(8) Uani 1 1 d D U . . .
C155 C 1.0078(13) 0.6799(15) 0.0296(4) 0.119(8) Uani 1 1 d D U . . .
H155 H 1.022557 0.705350 0.037644 0.142 Uiso 1 1 calc R U . . .
C156 C 0.9464(13) 0.646(2) 0.0312(4) 0.137(11) Uani 1 1 d D U . . .
H15H H 0.930767 0.671211 0.030517 0.164 Uiso 1 1 calc R U . . .
H15I H 0.931303 0.619546 0.023572 0.164 Uiso 1 1 calc R U . . .
O90 O 0.9270(19) 0.6153(19) 0.0436(3) 0.172(15) Uani 1 1 d D U . . .
H90 H 0.915462 0.631298 0.048786 0.258 Uiso 1 1 calc R U . . .
O91 O 1.1105(15) 0.7050(15) 0.0424(3) 0.111(7) Uani 1 1 d D U . . .
C157 C 1.1432(12) 0.7027(13) 0.0509(3) 0.082(6) Uani 1 1 d D U . . .
H157 H 1.155617 0.676356 0.047746 0.098 Uiso 1 1 calc R U . . .
C158 C 1.1940(11) 0.7603(13) 0.0537(2) 0.086(7) Uani 1 1 d D U . . .
H158 H 1.182703 0.789299 0.054214 0.103 Uiso 1 1 calc R U . . .
O92 O 1.2350(12) 0.7737(15) 0.0433(3) 0.105(9) Uani 1 1 d D U . . .
H92A H 1.222346 0.777462 0.035847 0.157 Uiso 1 1 calc R U . . .
C159 C 1.2192(9) 0.7574(12) 0.0666(2) 0.078(6) Uani 1 1 d D U . . .
H159 H 1.233081 0.730953 0.064834 0.094 Uiso 1 1 calc R U . . .
O93 O 1.2678(9) 0.8082(10) 0.0707(2) 0.073(6) Uani 1 1 d D U . . .
H93A H 1.281100 0.802647 0.077728 0.109 Uiso 1 1 calc R U . . .
C160 C 1.1785(9) 0.7314(9) 0.0782(2) 0.062(5) Uani 1 1 d D U . . .
H160 H 1.198032 0.730821 0.086659 0.075 Uiso 1 1 calc R U . . .
O94 O 1.1356(9) 0.6773(8) 0.0748(2) 0.064(5) Uani 1 1 d D U . . .
C161 C 1.1041(10) 0.6779(10) 0.0630(2) 0.072(6) Uani 1 1 d D U . . .
H161 H 1.086018 0.700572 0.064963 0.086 Uiso 1 1 calc R U . . .
C162 C 1.0609(11) 0.6187(11) 0.0610(3) 0.070(7) Uani 1 1 d D U . . .
H16C H 1.044227 0.602827 0.069940 0.084 Uiso 1 1 calc R U . . .
H16D H 1.031086 0.617151 0.055222 0.084 Uiso 1 1 calc R U . . .
O95 O 1.0800(15) 0.5846(12) 0.0551(3) 0.095(8) Uani 1 1 d D U . . .
H95A H 1.105525 0.585706 0.059929 0.143 Uiso 1 1 calc R U . . .
O96 O 1.1562(8) 0.7684(8) 0.07961(19) 0.052(4) Uani 1 1 d D U . . .
C163 C 1.5308(8) 1.0104(10) 0.0955(3) 0.059(5) Uani 1 1 d D U . . .
H163 H 1.543774 1.040483 0.102484 0.070 Uiso 1 1 calc R U . . .
C164 C 1.4671(8) 0.9811(10) 0.0938(2) 0.066(5) Uani 1 1 d D U . . .
H164 H 1.454411 0.956285 0.085707 0.079 Uiso 1 1 calc R U . . .
O97 O 1.4511(10) 1.0229(9) 0.0930(3) 0.079(6) Uani 1 1 d D U . . .
H97A H 1.464432 1.041676 0.085921 0.118 Uiso 1 1 calc DR U . . .
C165 C 1.4421(10) 0.9481(10) 0.1068(3) 0.068(5) Uani 1 1 d D U . . .
H165 H 1.456260 0.975447 0.114458 0.081 Uiso 1 1 calc R U . . .
O98 O 1.3836(9) 0.9193(12) 0.1076(3) 0.090(7) Uani 1 1 d D U . . .
H98A H 1.371984 0.941871 0.106581 0.135 Uiso 1 1 calc R U . . .
C166 C 1.4639(8) 0.9088(8) 0.1090(2) 0.059(5) Uani 1 1 d D U . . .
H166 H 1.446098 0.886162 0.117341 0.071 Uiso 1 1 calc R U . . .
O99 O 1.5216(7) 0.9362(7) 0.11058(17) 0.052(4) Uani 1 1 d D U . . .
C167 C 1.5505(8) 0.9695(9) 0.0989(2) 0.055(5) Uani 1 1 d D U . . .
H167 H 1.543804 0.944596 0.091006 0.066 Uiso 1 1 calc R U . . .
C168 C 1.6100(9) 0.9969(10) 0.1028(2) 0.053(5) Uani 1 1 d D U . . .
H16E H 1.619179 0.967880 0.105273 0.064 Uiso 1 1 calc R U . . .
H16F H 1.632839 1.016983 0.094802 0.064 Uiso 1 1 calc R U . . .
O100 O 1.6251(9) 1.0355(9) 0.1138(2) 0.066(6) Uani 1 1 d D U . . .
H10J H 1.619244 1.061394 0.111647 0.099 Uiso 1 1 calc R U . . .
O101 O 1.4476(8) 0.8721(7) 0.09743(16) 0.045(3) Uani 1 1 d D U . . .
C169 C 1.4171(7) 0.8140(7) 0.0996(2) 0.038(3) Uani 1 1 d D U . . .
H169 H 1.404362 0.805888 0.109248 0.045 Uiso 1 1 calc R U . . .
C170 C 1.3676(6) 0.7911(6) 0.09019(18) 0.033(3) Uani 1 1 d D U . . .
H170 H 1.381812 0.804215 0.080824 0.040 Uiso 1 1 calc R U . . .
O102 O 1.3297(9) 0.8103(9) 0.0935(2) 0.057(5) Uani 1 1 d D U . . .
H102 H 1.346858 0.845302 0.093545 0.086 Uiso 1 1 calc R U . . .
C171 C 1.3376(7) 0.7296(7) 0.09013(19) 0.037(3) Uani 1 1 d D U . . .
H171 H 1.323392 0.717207 0.099523 0.045 Uiso 1 1 calc R U . . .
O103 O 1.2914(7) 0.7053(8) 0.08150(17) 0.050(4) Uani 1 1 d D U . . .
H10K H 1.289018 0.730440 0.077323 0.075 Uiso 1 1 calc R U . . .
C172 C 1.3771(6) 0.7084(7) 0.08707(15) 0.033(3) Uani 1 1 d D U . . .
H172 H 1.356756 0.666865 0.087482 0.039 Uiso 1 1 calc R U . . .
O104 O 1.4202(6) 0.7301(6) 0.09637(14) 0.038(3) Uani 1 1 d D U . . .
C173 C 1.4550(7) 0.7901(7) 0.09636(19) 0.041(3) Uani 1 1 d D U . . .
H173 H 1.472384 0.803225 0.087241 0.049 Uiso 1 1 calc R U . . .
C174 C 1.4989(8) 0.8043(9) 0.10675(17) 0.039(4) Uani 1 1 d D U . . .
H17C H 1.518989 0.784085 0.104634 0.047 Uiso 1 1 calc R U . . .
H17D H 1.526058 0.844633 0.106233 0.047 Uiso 1 1 calc R U . . .
O105 O 1.4779(6) 0.7910(8) 0.12017(15) 0.044(3) Uani 1 1 d D U . . .
H10L H 1.504375 0.799820 0.125585 0.066 Uiso 1 1 calc R U . . .
O106 O 1.3976(7) 0.7267(7) 0.07361(13) 0.036(3) Uani 1 1 d D U . . .
C175 C 1.3872(9) 0.6855(11) 0.06274(19) 0.044(4) Uani 1 1 d D U . . .
H175 H 1.360775 0.646832 0.065890 0.053 Uiso 1 1 calc R U . . .
C176 C 1.3617(10) 0.7024(12) 0.0512(2) 0.059(5) Uani 1 1 d D U . . .
H176 H 1.381391 0.743820 0.050230 0.070 Uiso 1 1 calc R U . . .
O107 O 1.3034(9) 0.6807(11) 0.0535(2) 0.071(6) Uani 1 1 d D U . . .
H10M H 1.299104 0.695000 0.060584 0.107 Uiso 1 1 calc R U . . .
C177 C 1.3655(9) 0.6762(11) 0.0383(2) 0.060(5) Uani 1 1 d D U . . .
H177 H 1.340042 0.635057 0.039047 0.072 Uiso 1 1 calc R U . . .
O108 O 1.3464(11) 0.6957(11) 0.0276(2) 0.092(8) Uani 1 1 d D U . . .
H108 H 1.347340 0.680462 0.020344 0.139 Uiso 1 1 calc R U . . .
C178 C 1.4234(9) 0.6866(9) 0.0356(2) 0.053(4) Uani 1 1 d D U . . .
H178 H 1.423511 0.668224 0.026892 0.063 Uiso 1 1 calc R U . . .
O109 O 1.4374(7) 0.6624(7) 0.04626(14) 0.041(3) Uani 1 1 d D U . . .
C179 C 1.4437(8) 0.6918(9) 0.05903(17) 0.043(4) Uani 1 1 d D U . . .
H179 H 1.472467 0.731989 0.058090 0.052 Uiso 1 1 calc R U . . .
C180 C 1.4625(9) 0.6640(11) 0.0689(2) 0.047(4) Uani 1 1 d D U . . .
H18C H 1.466869 0.681246 0.077931 0.056 Uiso 1 1 calc R U . . .
H18D H 1.433654 0.624206 0.069660 0.056 Uiso 1 1 calc R U . . .
O110 O 1.5148(9) 0.6682(10) 0.0649(2) 0.059(5) Uani 1 1 d D U . . .
H11E H 1.539738 0.701911 0.064633 0.089 Uiso 1 1 calc R U . . .
O111 O 1.4556(9) 0.7462(7) 0.0339(2) 0.054(4) Uani 1 1 d D U . . .
C181 C 1.5007(10) 0.7706(11) 0.0231(3) 0.061(5) Uani 1 1 d D U . . .
H181 H 1.495484 0.740475 0.016684 0.074 Uiso 1 1 calc R U . . .
C182 C 1.4866(7) 0.8107(7) 0.01580(18) 0.037(3) Uani 1 1 d D U . . .
H182 H 1.488031 0.838697 0.022414 0.045 Uiso 1 1 calc R U . . .
O112 O 1.4311(8) 0.7791(10) 0.0103(3) 0.079(7) Uani 1 1 d D U . . .
H11F H 1.408322 0.763488 0.016688 0.118 Uiso 1 1 calc R U . . .
C183 C 1.5279(9) 0.8401(10) 0.0048(2) 0.069(5) Uani 1 1 d D U . . .
H183 H 1.525162 0.812315 -0.002085 0.083 Uiso 1 1 calc R U . . .
O113 O 1.5169(13) 0.8791(12) -0.0015(3) 0.091(8) Uani 1 1 d D U . . .
H11G H 1.490023 0.879219 0.002368 0.137 Uiso 1 1 calc R U . . .
C184 C 1.5850(10) 0.8679(9) 0.0111(2) 0.073(6) Uani 1 1 d D U . . .
H184 H 1.613506 0.889617 0.003991 0.088 Uiso 1 1 calc R U . . .
O114 O 1.5973(10) 0.8300(11) 0.0171(3) 0.088(6) Uani 1 1 d D U . . .
C185 C 1.5605(10) 0.8000(11) 0.0285(3) 0.075(6) Uani 1 1 d D U . . .
H185 H 1.565103 0.826142 0.035965 0.090 Uiso 1 1 calc R U . . .
C186 C 1.5782(16) 0.7596(14) 0.0329(3) 0.082(8) Uani 1 1 d D U . . .
H18E H 1.618351 0.780517 0.035087 0.098 Uiso 1 1 calc R U . . .
H18F H 1.557835 0.741010 0.041275 0.098 Uiso 1 1 calc R U . . .
O115 O 1.5686(18) 0.7178(15) 0.0230(4) 0.117(11) Uani 1 1 d D U . . .
H11H H 1.586757 0.733094 0.015926 0.175 Uiso 1 1 calc R U . . .
O116 O 1.5837(13) 0.9063(11) 0.0211(2) 0.082(6) Uani 1 1 d D U . . .
C187 C 1.6374(15) 0.9613(12) 0.0212(3) 0.086(6) Uani 1 1 d D U . . .
H187 H 1.663004 0.964710 0.013631 0.103 Uiso 1 1 calc R U . . .
C188 C 1.6095(15) 0.9962(13) 0.0188(3) 0.098(7) Uani 1 1 d D U . . .
H188 H 1.577245 0.982847 0.025118 0.118 Uiso 1 1 calc R U . . .
O117 O 1.5890(17) 0.9923(17) 0.0053(3) 0.134(11) Uani 1 1 d D U . . .
H11I H 1.563909 0.959452 0.003762 0.201 Uiso 1 1 calc R U . . .
C189 C 1.6501(14) 1.0556(12) 0.0221(2) 0.105(7) Uani 1 1 d D U . . .
H189 H 1.680575 1.068680 0.015285 0.125 Uiso 1 1 calc R U . . .
O118 O 1.6270(17) 1.0901(15) 0.0208(4) 0.127(11) Uani 1 1 d D U . . .
H11J H 1.651902 1.123331 0.022060 0.190 Uiso 1 1 calc R U . . .
C190 C 1.6767(13) 1.0603(13) 0.0357(3) 0.095(7) Uani 1 1 d D U . . .
H190 H 1.705894 1.100027 0.037200 0.114 Uiso 1 1 calc R U . . .
O119 O 1.7008(10) 1.0272(10) 0.0370(2) 0.083(6) Uani 1 1 d D U . . .
C191 C 1.6633(13) 0.9683(12) 0.0349(3) 0.089(7) Uani 1 1 d D U . . .
H191 H 1.632931 0.955502 0.041800 0.107 Uiso 1 1 calc R U . . .
C192 C 1.6948(17) 0.9392(16) 0.0376(3) 0.098(9) Uani 1 1 d D U . . .
H19D H 1.715040 0.953317 0.046269 0.118 Uiso 1 1 calc R U . . .
H19E H 1.667681 0.899104 0.038887 0.118 Uiso 1 1 calc R U . . .
O120 O 1.7341(18) 0.944(2) 0.0274(4) 0.141(13) Uani 1 1 d D U . . .
H120 H 1.757666 0.978034 0.026283 0.212 Uiso 1 1 calc R U . . .
O121 O 1.6309(13) 1.0465(14) 0.0448(3) 0.090(6) Uani 1 1 d D U . . .
C193 C 1.6358(15) 1.085(2) 0.0551(3) 0.091(6) Uani 1 1 d D U . . .
C194 C 1.5804(13) 1.0840(15) 0.0558(2) 0.085(7) Uani 1 1 d D U . . .
H194 H 1.548792 1.044918 0.055094 0.102 Uiso 1 1 calc R U . . .
O122 O 1.5787(18) 1.1165(18) 0.0447(3) 0.134(11) Uani 1 1 d D U . . .
H12G H 1.579997 1.101872 0.037364 0.201 Uiso 1 1 calc R U . . .
C195 C 1.5749(12) 1.1097(12) 0.0685(2) 0.078(6) Uani 1 1 d D U . . .
H195 H 1.600381 1.150743 0.067469 0.094 Uiso 1 1 calc R U . . .
O123 O 1.5213(9) 1.1021(9) 0.0706(3) 0.091(8) Uani 1 1 d D U . . .
H12H H 1.521138 1.118847 0.077628 0.137 Uiso 1 1 calc R U . . .
C196 C 1.5950(9) 1.0925(10) 0.0807(2) 0.064(5) Uani 1 1 d D U . . .
H196 H 1.593671 1.113471 0.088809 0.076 Uiso 1 1 calc R U . . .
O124 O 1.6489(9) 1.1015(10) 0.0792(2) 0.073(5) Uani 1 1 d D U . . .
C197 C 1.6544(11) 1.0707(13) 0.0680(2) 0.071(6) Uani 1 1 d D U . . .
H197 H 1.628289 1.030375 0.069878 0.086 Uiso 1 1 calc R U . . .
C198 C 1.7113(11) 1.0793(14) 0.0688(4) 0.085(8) Uani 1 1 d D U . . .
H19F H 1.720796 1.078521 0.078458 0.102 Uiso 1 1 calc R U . . .
H19G H 1.712023 1.048047 0.064190 0.102 Uiso 1 1 calc R U . . .
O125 O 1.7531(11) 1.1307(11) 0.0629(3) 0.083(7) Uani 1 1 d D U . . .
H12I H 1.754013 1.157578 0.067046 0.124 Uiso 1 1 calc R U . . .
O126 O 1.5521(9) 1.0341(9) 0.0820(2) 0.062(5) Uani 1 1 d D U . . .
O13W O 1.3235(11) 0.9846(11) 0.0899(2) 0.066(6) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C4 1.49(2) . ?
C1 C2 1.56(2) . ?
C1 C5 1.57(2) . ?
C1 S1 1.865(15) . ?
C2 C3 1.51(3) . ?
C2 N1 1.52(2) . ?
C3 O2 1.21(3) . ?
C3 O1 1.28(3) . ?
C6 C9 1.48(2) . ?
C6 C10 1.50(2) . ?
C6 C7 1.58(3) . ?
C6 S2 1.860(18) . ?
C7 N2 1.46(2) . ?
C7 C8 1.54(2) . ?
C8 O4 1.26(2) . ?
C8 O3 1.26(2) . ?
C11 C15 1.52(2) . ?
C11 C14 1.52(2) . ?
C11 C12 1.525(18) . ?
C11 S3 1.886(12) . ?
C12 N3 1.435(19) . ?
C12 C13 1.57(2) . ?
C13 O6 1.21(2) . ?
C13 O5 1.29(2) . ?
C16 C20 1.43(3) . ?
C16 C19 1.45(3) . ?
C16 C17 1.59(3) . ?
C16 S4 1.89(2) . ?
C17 N4 1.49(2) . ?
C17 C18 1.54(3) . ?
C18 O8 1.20(3) . ?
C18 O7 1.34(3) . ?
C21 C22 1.50(2) . ?
C21 C25 1.53(2) . ?
C21 C24 1.59(2) . ?
C21 S5 1.841(19) . ?
C22 N5 1.487(19) . ?
C22 C23 1.55(2) . ?
C23 O10 1.18(2) . ?
C23 O9 1.28(2) . ?
C26 C27 1.53(2) . ?
C26 C29 1.55(3) . ?
C26 C30 1.56(3) . ?
C26 S6 1.854(17) . ?
C27 N6 1.46(2) . ?
C27 C28 1.59(2) . ?
C28 O12 1.18(2) . ?
C28 O11 1.26(2) . ?
C31 C35 1.51(3) . ?
C31 C34 1.51(2) . ?
C31 C32 1.55(2) . ?
C31 S7 1.835(16) . ?
C32 N7 1.49(2) . ?
C32 C33 1.53(2) . ?
C33 O13 1.27(2) . ?
C33 O14 1.31(3) . ?
C36 C40 1.50(2) . ?
C36 C39 1.52(2) . ?
C36 C37 1.56(2) . ?
C36 S8 1.866(15) . ?
C37 C38 1.506(18) . ?
C37 N8 1.569(19) . ?
C38 O15 1.25(2) . ?
C38 O16 1.33(2) . ?
C41 C45 1.42(3) . ?
C41 C42 1.58(3) . ?
C41 C44 1.59(3) . ?
C41 S9 1.83(2) . ?
C42 N9 1.50(2) . ?
C42 C43 1.58(3) . ?
C43 O18 1.22(3) . ?
C43 O17 1.25(3) . ?
C46 C47 1.44(2) . ?
C46 C49 1.536(13) . ?
C46 C50 1.542(14) . ?
C46 S10 1.871(15) . ?
C47 N10 1.52(2) . ?
C47 C48 1.54(2) . ?
C48 O19 1.27(2) . ?
C48 O20 1.30(2) . ?
C51 C54 1.45(2) . ?
C51 C52 1.56(2) . ?
C51 C55 1.58(2) . ?
C51 S11 1.908(15) . ?
C52 N11 1.473(19) . ?
C52 C53 1.54(2) . ?
C53 O21 1.24(2) . ?
C53 O22 1.31(2) . ?
C56 C60 1.53(2) . ?
C56 C59 1.56(2) . ?
C56 C57 1.61(2) . ?
C56 S12 1.877(15) . ?
C57 N12 1.44(2) . ?
C57 C58 1.49(3) . ?
C58 O24 1.22(3) . ?
C58 O23 1.25(3) . ?
C61 C65 1.40(3) . ?
C61 C62 1.54(3) . ?
C61 C64 1.56(3) . ?
C61 S13 1.90(2) . ?
C62 N13 1.45(2) . ?
C62 C63 1.57(2) . ?
C63 O26 1.23(2) . ?
C63 O25 1.28(2) . ?
C66 C70 1.522(14) . ?
C66 C69 1.531(14) . ?
C66 C67 1.55(3) . ?
C66 S14 1.85(2) . ?
C67 N14 1.49(3) . ?
C67 C68 1.57(3) . ?
C68 O27 1.17(3) . ?
C68 O28 1.28(3) . ?
C71 C74 1.42(3) . ?
C71 C72 1.52(3) . ?
C71 C75 1.53(3) . ?
C71 S15 1.93(2) . ?
C72 N15 1.45(2) . ?
C72 C73 1.61(3) . ?
C73 O30 1.23(2) . ?
C73 O29 1.29(2) . ?
C76 C80 1.54(3) . ?
C76 C77 1.56(2) . ?
C76 C79 1.60(3) . ?
C76 S16 1.876(17) . ?
C77 N16 1.500(19) . ?
C77 C78 1.53(2) . ?
C78 O32 1.18(2) . ?
C78 O31 1.34(2) . ?
C81 C85 1.47(3) . ?
C81 C82 1.61(3) . ?
C81 C84 1.62(3) . ?
C81 S17 1.83(2) . ?
C82 C83 1.42(3) . ?
C82 N17 1.48(3) . ?
C83 O34 1.14(3) . ?
C83 O33 1.35(3) . ?
C86 C89 1.52(3) . ?
C86 C87 1.57(3) . ?
C86 C90 1.66(3) . ?
C86 S18 1.879(19) . ?
C87 N18 1.43(2) . ?
C87 C88 1.61(3) . ?
C88 O36 1.22(3) . ?
C88 O35 1.24(3) . ?
N1 Co1 1.984(14) . ?
N2 Co1 2.010(13) . ?
N3 Co1 2.030(14) . ?
N4 Co2 2.013(17) . ?
N5 Co2 1.973(14) . ?
N6 Co2 2.002(13) . ?
N7 Co3 1.987(15) . ?
N8 Co3 2.010(14) . ?
N9 Co3 2.000(16) . ?
N10 Co4 1.994(13) . ?
N11 Co4 2.006(13) . ?
N12 Co4 2.011(15) . ?
N13 Co6 1.995(15) . ?
N14 Co6 1.952(18) . ?
N15 Co6 2.042(16) . ?
N16 Co5 1.958(13) . ?
N17 Co5 1.992(17) . ?
N18 Co5 1.969(14) . ?
Na1 O3W 2.39(2) . ?
Na1 O4W 2.392(19) . ?
Na1 O6W 2.41(2) . ?
Na1 O2W 2.408(18) . ?
Na1 O1W 2.43(2) . ?
Na1 O5W 2.45(2) . ?
Na2 O7W 2.352(16) . ?
Na2 O12W 2.356(17) . ?
Na2 O10W 2.380(17) . ?
Na2 O9W 2.412(19) . ?
Na2 O11W 2.483(17) . ?
Na2 O8W 2.518(16) . ?
S1 Co1 2.262(5) . ?
S1 Au1 2.325(4) . ?
S2 Co1 2.253(4) . ?
S2 Au2 2.270(3) . ?
S3 Co1 2.258(4) . ?
S3 Au3 2.278(3) . ?
S4 Co2 2.255(4) . ?
S4 Au1 2.302(4) . ?
S5 Co2 2.243(4) . ?
S5 Au2 2.276(3) . ?
S6 Co2 2.280(4) . ?
S6 Au3 2.293(4) . ?
S7 Co3 2.270(4) . ?
S7 Au4 2.288(4) . ?
S8 Co3 2.242(5) . ?
S8 Au5 2.277(4) . ?
S9 Co3 2.235(5) . ?
S9 Au6 2.305(4) . ?
S10 Co4 2.261(4) . ?
S10 Au4 2.280(4) . ?
S11 Co4 2.248(4) . ?
S11 Au5 2.265(4) . ?
S12 Co4 2.274(5) . ?
S12 Au6 2.292(4) . ?
S13 Co6 2.233(5) . ?
S13 Au7 2.298(4) . ?
S14 Co6 2.246(5) . ?
S14 Au8 2.309(4) . ?
S15 Co6 2.250(5) . ?
S15 Au9 2.324(4) . ?
S16 Co5 2.243(4) . ?
S16 Au7 2.273(3) . ?
S17 Co5 2.228(5) . ?
S17 Au8 2.316(4) . ?
S18 Co5 2.261(5) . ?
S18 Au9 2.297(5) . ?
Au1 Au2 2.9629(9) . ?
Au1 Au3 2.9669(9) . ?
Au2 Au3 3.0368(8) . ?
Au4 Au6 2.9673(9) . ?
Au4 Au5 3.0252(8) . ?
Au5 Au6 2.9654(8) . ?
Au7 Au8 2.9538(9) . ?
Au7 Au9 3.0352(7) . ?
Au8 Au9 2.9831(10) . ?
C91 O66 1.44(3) . ?
C91 C95 1.52(2) . ?
C91 C92 1.542(12) . ?
C92 O37 1.43(2) . ?
C92 C93 1.520(12) . ?
C93 O38 1.42(2) . ?
C93 C94 1.521(12) . ?
C94 O39 1.407(11) . ?
C94 O41 1.436(18) . ?
O39 C95 1.433(11) . ?
C95 C96 1.491(19) . ?
C96 O40 1.422(19) . ?
O41 C97 1.47(2) . ?
C97 C101 1.519(17) . ?
C97 C98 1.523(17) . ?
C98 O42 1.442(17) . ?
C98 C99 1.492(18) . ?
C99 O43 1.426(17) . ?
C99 C100 1.510(17) . ?
C100 O44 1.393(16) . ?
C100 O46 1.445(17) . ?
O44 C101 1.452(16) . ?
C101 C102 1.487(17) . ?
C102 O45 1.434(17) . ?
O46 C103 1.42(2) . ?
C103 C107 1.531(17) . ?
C103 C104 1.543(17) . ?
C104 O47 1.441(18) . ?
C104 C105 1.491(19) . ?
C105 O48 1.422(18) . ?
C105 C106 1.509(18) . ?
C106 O49 1.406(17) . ?
C106 O51 1.467(18) . ?
O49 C107 1.447(16) . ?
C107 C108 1.489(18) . ?
C108 O50 1.441(17) . ?
O51 C109 1.39(3) . ?
C109 C113 1.513(19) . ?
C109 C110 1.518(18) . ?
C110 O52 1.412(18) . ?
C110 C111 1.487(19) . ?
C111 O53 1.40(2) . ?
C111 C112 1.517(19) . ?
C112 O54 1.398(18) . ?
C112 O56 1.449(19) . ?
O54 C113 1.452(18) . ?
C113 C114 1.48(2) . ?
C114 O55 1.43(2) . ?
O56 C115 1.49(4) . ?
C115 C119 1.52(2) . ?
C115 C116 1.53(2) . ?
C116 O57 1.432(19) . ?
C116 C117 1.51(2) . ?
C117 O58 1.42(2) . ?
C117 C118 1.512(19) . ?
C118 O59 1.408(19) . ?
C118 O61 1.45(2) . ?
O59 C119 1.455(19) . ?
C119 C120 1.49(2) . ?
C120 O60 1.43(2) . ?
O61 C121 1.37(4) . ?
C121 C125 1.53(2) . ?
C121 C122 1.532(19) . ?
C122 O62 1.421(19) . ?
C122 C123 1.489(18) . ?
C123 O63 1.417(19) . ?
C123 C124 1.505(18) . ?
C124 O64 1.396(18) . ?
C124 O66 1.454(19) . ?
O64 C125 1.456(19) . ?
C125 C126 1.48(2) . ?
C126 O65 1.45(2) . ?
C127 O96 1.47(3) . ?
C127 C131 1.520(19) . ?
C127 C128 1.543(19) . ?
C128 O67 1.439(19) . ?
C128 C129 1.514(19) . ?
C129 O68 1.40(2) . ?
C129 C130 1.513(19) . ?
C130 O69 1.406(17) . ?
C130 O71 1.439(18) . ?
O69 C131 1.457(17) . ?
C131 C132 1.491(19) . ?
C132 O70 1.413(18) . ?
O71 C133 1.48(2) . ?
C133 C137 1.524(17) . ?
C133 C134 1.524(16) . ?
C134 O72 1.432(17) . ?
C134 C135 1.497(16) . ?
C135 O73 1.390(16) . ?
C135 C136 1.530(16) . ?
C136 O74 1.400(16) . ?
C136 O76 1.439(15) . ?
O74 C137 1.461(16) . ?
C137 C138 1.487(18) . ?
C138 O75 1.422(17) . ?
O76 C139 1.42(2) . ?
C139 C143 1.520(17) . ?
C139 C140 1.534(17) . ?
C140 O77 1.431(18) . ?
C140 C141 1.507(18) . ?
C141 O78 1.412(18) . ?
C141 C142 1.522(18) . ?
C142 O79 1.399(17) . ?
C142 O81 1.441(17) . ?
O79 C143 1.449(17) . ?
C143 C144 1.478(18) . ?
C144 O80 1.425(18) . ?
O81 C145 1.39(3) . ?
C145 C149 1.51(2) . ?
C145 C146 1.539(19) . ?
C146 O82 1.427(19) . ?
C146 C147 1.502(18) . ?
C147 O83 1.41(2) . ?
C147 C148 1.504(18) . ?
C148 O84 1.405(18) . ?
C148 O86 1.448(19) . ?
O84 C149 1.456(18) . ?
C149 C150 1.46(2) . ?
C150 O85 1.426(19) . ?
O86 C151 1.40(4) . ?
C151 C155 1.51(2) . ?
C151 C152 1.536(11) . ?
C152 O87 1.428(12) . ?
C152 C153 1.498(12) . ?
C153 O88 1.417(12) . ?
C153 C154 1.522(12) . ?
C154 O89 1.389(19) . ?
C154 O91 1.44(2) . ?
O89 C155 1.45(2) . ?
C155 C156 1.49(2) . ?
C156 O90 1.433(17) . ?
O91 C157 1.27(4) . ?
C157 C161 1.52(2) . ?
C157 C158 1.54(2) . ?
C158 O92 1.44(2) . ?
C158 C159 1.475(19) . ?
C159 O93 1.43(2) . ?
C159 C160 1.512(19) . ?
C160 O94 1.413(18) . ?
C160 O96 1.447(19) . ?
O94 C161 1.465(19) . ?
C161 C162 1.49(2) . ?
C162 O95 1.42(2) . ?
C163 O126 1.47(3) . ?
C163 C167 1.523(19) . ?
C163 C164 1.541(12) . ?
C164 O97 1.435(19) . ?
C164 C165 1.525(12) . ?
C165 O98 1.409(19) . ?
C165 C166 1.504(19) . ?
C166 O99 1.396(18) . ?
C166 O101 1.449(18) . ?
O99 C167 1.442(18) . ?
C167 C168 1.481(19) . ?
C168 O100 1.436(19) . ?
O101 C169 1.41(2) . ?
C169 C170 1.513(17) . ?
C169 C173 1.531(18) . ?
C170 O102 1.434(17) . ?
C170 C171 1.479(17) . ?
C171 O103 1.400(17) . ?
C171 C172 1.509(17) . ?
C172 O104 1.384(16) . ?
C172 O106 1.435(16) . ?
O104 C173 1.448(17) . ?
C173 C174 1.488(18) . ?
C174 O105 1.421(18) . ?
O106 C175 1.49(3) . ?
C175 C179 1.533(18) . ?
C175 C176 1.536(18) . ?
C176 O107 1.435(19) . ?
C176 C177 1.496(19) . ?
C177 O108 1.405(19) . ?
C177 C178 1.507(19) . ?
C178 O109 1.404(17) . ?
C178 O111 1.444(19) . ?
O109 C179 1.463(17) . ?
C179 C180 1.490(19) . ?
C180 O110 1.451(18) . ?
O111 C181 1.52(3) . ?
C181 C182 1.530(18) . ?
C181 C185 1.53(2) . ?
C182 O112 1.444(18) . ?
C182 C183 1.494(18) . ?
C183 O113 1.41(2) . ?
C183 C184 1.505(19) . ?
C184 O114 1.393(19) . ?
C184 O116 1.465(19) . ?
O114 C185 1.464(19) . ?
C185 C186 1.50(2) . ?
C186 O115 1.44(2) . ?
O116 C187 1.51(4) . ?
C187 C191 1.50(2) . ?
C187 C188 1.53(2) . ?
C188 O117 1.43(2) . ?
C188 C189 1.50(2) . ?
C189 O118 1.40(2) . ?
C189 C190 1.502(19) . ?
C190 O119 1.388(19) . ?
C190 O121 1.44(2) . ?
O119 C191 1.45(2) . ?
C191 C192 1.48(2) . ?
C192 O120 1.44(2) . ?
O121 C193 1.42(4) . ?
C193 C197 1.50(2) . ?
C193 C194 1.53(2) . ?
C194 O122 1.44(2) . ?
C194 C195 1.484(19) . ?
C195 O123 1.41(2) . ?
C195 C196 1.506(19) . ?
C196 O124 1.397(18) . ?
C196 O126 1.459(19) . ?
O124 C197 1.449(19) . ?
C197 C198 1.48(2) . ?
C198 O125 1.44(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 C1 C2 113.7(13) . . ?
C4 C1 C5 109.3(13) . . ?
C2 C1 C5 111.1(13) . . ?
C4 C1 S1 106.5(10) . . ?
C2 C1 S1 105.2(10) . . ?
C5 C1 S1 110.9(11) . . ?
C3 C2 N1 109.5(15) . . ?
C3 C2 C1 113.2(14) . . ?
N1 C2 C1 108.4(13) . . ?
O2 C3 O1 127(2) . . ?
O2 C3 C2 119(2) . . ?
O1 C3 C2 114(2) . . ?
C9 C6 C10 106.3(15) . . ?
C9 C6 C7 113.7(14) . . ?
C10 C6 C7 112.3(14) . . ?
C9 C6 S2 109.0(12) . . ?
C10 C6 S2 114.0(11) . . ?
C7 C6 S2 101.7(11) . . ?
N2 C7 C8 114.9(15) . . ?
N2 C7 C6 109.3(14) . . ?
C8 C7 C6 110.8(15) . . ?
O4 C8 O3 125.5(16) . . ?
O4 C8 C7 116.6(16) . . ?
O3 C8 C7 117.6(15) . . ?
C15 C11 C14 107.2(11) . . ?
C15 C11 C12 115.6(13) . . ?
C14 C11 C12 116.4(12) . . ?
C15 C11 S3 108.6(10) . . ?
C14 C11 S3 104.7(10) . . ?
C12 C11 S3 103.5(8) . . ?
N3 C12 C11 108.5(12) . . ?
N3 C12 C13 114.2(13) . . ?
C11 C12 C13 108.7(11) . . ?
O6 C13 O5 124.1(17) . . ?
O6 C13 C12 117.8(15) . . ?
O5 C13 C12 117.8(15) . . ?
C20 C16 C19 114.3(19) . . ?
C20 C16 C17 108.0(17) . . ?
C19 C16 C17 110.6(17) . . ?
C20 C16 S4 107.4(15) . . ?
C19 C16 S4 115.0(14) . . ?
C17 C16 S4 100.5(12) . . ?
N4 C17 C18 112.7(16) . . ?
N4 C17 C16 111.2(14) . . ?
C18 C17 C16 112.6(16) . . ?
O8 C18 O7 131(2) . . ?
O8 C18 C17 117(2) . . ?
O7 C18 C17 111.7(18) . . ?
C22 C21 C25 114.8(14) . . ?
C22 C21 C24 113.6(15) . . ?
C25 C21 C24 105.3(13) . . ?
C22 C21 S5 104.1(11) . . ?
C25 C21 S5 113.4(13) . . ?
C24 C21 S5 105.5(11) . . ?
N5 C22 C21 105.9(12) . . ?
N5 C22 C23 114.3(12) . . ?
C21 C22 C23 116.4(13) . . ?
O10 C23 O9 126.3(18) . . ?
O10 C23 C22 116.3(16) . . ?
O9 C23 C22 116.4(16) . . ?
C27 C26 C29 113.1(15) . . ?
C27 C26 C30 115.3(16) . . ?
C29 C26 C30 109.0(16) . . ?
C27 C26 S6 102.4(11) . . ?
C29 C26 S6 111.1(13) . . ?
C30 C26 S6 105.6(12) . . ?
N6 C27 C26 112.5(13) . . ?
N6 C27 C28 110.7(14) . . ?
C26 C27 C28 111.5(14) . . ?
O12 C28 O11 127.4(17) . . ?
O12 C28 C27 120.3(16) . . ?
O11 C28 C27 112.3(16) . . ?
C35 C31 C34 110.0(14) . . ?
C35 C31 C32 111.2(14) . . ?
C34 C31 C32 114.2(13) . . ?
C35 C31 S7 106.3(12) . . ?
C34 C31 S7 111.7(11) . . ?
C32 C31 S7 103.1(10) . . ?
N7 C32 C33 112.2(14) . . ?
N7 C32 C31 108.2(12) . . ?
C33 C32 C31 112.6(13) . . ?
O13 C33 O14 124.5(18) . . ?
O13 C33 C32 118.8(17) . . ?
O14 C33 C32 116.6(17) . . ?
C40 C36 C39 110.2(15) . . ?
C40 C36 C37 112.9(12) . . ?
C39 C36 C37 109.9(13) . . ?
C40 C36 S8 115.0(12) . . ?
C39 C36 S8 107.1(11) . . ?
C37 C36 S8 101.2(10) . . ?
C38 C37 C36 114.7(12) . . ?
C38 C37 N8 109.7(12) . . ?
C36 C37 N8 106.6(11) . . ?
O15 C38 O16 123.4(14) . . ?
O15 C38 C37 115.7(14) . . ?
O16 C38 C37 120.9(13) . . ?
C45 C41 C42 113.1(16) . . ?
C45 C41 C44 113.2(16) . . ?
C42 C41 C44 109.6(16) . . ?
C45 C41 S9 107.4(14) . . ?
C42 C41 S9 103.4(12) . . ?
C44 C41 S9 109.7(14) . . ?
N9 C42 C43 111.5(16) . . ?
N9 C42 C41 109.6(14) . . ?
C43 C42 C41 112.9(16) . . ?
O18 C43 O17 128(2) . . ?
O18 C43 C42 117(2) . . ?
O17 C43 C42 115(2) . . ?
C47 C46 C49 117.1(13) . . ?
C47 C46 C50 110.7(14) . . ?
C49 C46 C50 106.0(16) . . ?
C47 C46 S10 103.8(10) . . ?
C49 C46 S10 113.8(11) . . ?
C50 C46 S10 105.1(13) . . ?
C46 C47 N10 111.0(12) . . ?
C46 C47 C48 114.8(14) . . ?
N10 C47 C48 108.7(13) . . ?
O19 C48 O20 121.5(16) . . ?
O19 C48 C47 119.7(15) . . ?
O20 C48 C47 118.0(15) . . ?
C54 C51 C52 115.0(14) . . ?
C54 C51 C55 112.6(13) . . ?
C52 C51 C55 112.8(12) . . ?
C54 C51 S11 108.1(11) . . ?
C52 C51 S11 99.6(9) . . ?
C55 C51 S11 107.4(10) . . ?
N11 C52 C53 113.6(12) . . ?
N11 C52 C51 111.0(12) . . ?
C53 C52 C51 108.8(12) . . ?
O21 C53 O22 122.9(17) . . ?
O21 C53 C52 121.0(15) . . ?
O22 C53 C52 116.1(15) . . ?
C60 C56 C59 112.7(14) . . ?
C60 C56 C57 112.5(12) . . ?
C59 C56 C57 109.6(13) . . ?
C60 C56 S12 113.3(12) . . ?
C59 C56 S12 104.8(11) . . ?
C57 C56 S12 103.4(9) . . ?
N12 C57 C58 112.2(14) . . ?
N12 C57 C56 109.5(11) . . ?
C58 C57 C56 112.0(13) . . ?
O24 C58 O23 123(2) . . ?
O24 C58 C57 120.0(19) . . ?
O23 C58 C57 116.7(17) . . ?
C65 C61 C62 116.7(17) . . ?
C65 C61 C64 114.6(16) . . ?
C62 C61 C64 112.3(16) . . ?
C65 C61 S13 111.0(15) . . ?
C62 C61 S13 97.8(12) . . ?
C64 C61 S13 101.9(12) . . ?
N13 C62 C61 110.1(15) . . ?
N13 C62 C63 112.2(14) . . ?
C61 C62 C63 107.6(15) . . ?
O26 C63 O25 123.8(14) . . ?
O26 C63 C62 116.0(15) . . ?
O25 C63 C62 120.2(15) . . ?
C70 C66 C69 112.1(17) . . ?
C70 C66 C67 112.4(16) . . ?
C69 C66 C67 113.5(16) . . ?
C70 C66 S14 104.7(14) . . ?
C69 C66 S14 109.9(13) . . ?
C67 C66 S14 103.5(12) . . ?
N14 C67 C66 108.1(15) . . ?
N14 C67 C68 114.5(17) . . ?
C66 C67 C68 108.8(16) . . ?
O27 C68 O28 130(3) . . ?
O27 C68 C67 117(2) . . ?
O28 C68 C67 113(2) . . ?
C74 C71 C72 112(2) . . ?
C74 C71 C75 115(2) . . ?
C72 C71 C75 112.6(18) . . ?
C74 C71 S15 107.8(17) . . ?
C72 C71 S15 97.8(14) . . ?
C75 C71 S15 110.6(16) . . ?
N15 C72 C71 113.8(16) . . ?
N15 C72 C73 108.5(15) . . ?
C71 C72 C73 111.6(16) . . ?
O30 C73 O29 129(2) . . ?
O30 C73 C72 119.2(17) . . ?
O29 C73 C72 111.2(17) . . ?
C80 C76 C77 113.4(15) . . ?
C80 C76 C79 113.3(15) . . ?
C77 C76 C79 113.4(13) . . ?
C80 C76 S16 106.4(12) . . ?
C77 C76 S16 103.2(11) . . ?
C79 C76 S16 106.0(12) . . ?
N16 C77 C78 113.6(13) . . ?
N16 C77 C76 106.5(12) . . ?
C78 C77 C76 111.0(13) . . ?
O32 C78 O31 124.2(17) . . ?
O32 C78 C77 122.0(16) . . ?
O31 C78 C77 113.7(16) . . ?
C85 C81 C82 111.7(18) . . ?
C85 C81 C84 109.7(16) . . ?
C82 C81 C84 111.6(16) . . ?
C85 C81 S17 115.2(15) . . ?
C82 C81 S17 105.0(13) . . ?
C84 C81 S17 103.3(13) . . ?
C83 C82 N17 118(2) . . ?
C83 C82 C81 110.8(17) . . ?
N17 C82 C81 104.7(16) . . ?
O34 C83 O33 119(2) . . ?
O34 C83 C82 124(3) . . ?
O33 C83 C82 116(2) . . ?
C89 C86 C87 119.7(18) . . ?
C89 C86 C90 112.3(18) . . ?
C87 C86 C90 109.3(16) . . ?
C89 C86 S18 113.5(15) . . ?
C87 C86 S18 99.1(11) . . ?
C90 C86 S18 100.7(14) . . ?
N18 C87 C86 108.0(15) . . ?
N18 C87 C88 108.9(15) . . ?
C86 C87 C88 110.6(15) . . ?
O36 C88 O35 127(2) . . ?
O36 C88 C87 114(2) . . ?
O35 C88 C87 118.8(19) . . ?
C2 N1 Co1 117.4(10) . . ?
C7 N2 Co1 113.4(11) . . ?
C12 N3 Co1 113.6(10) . . ?
C17 N4 Co2 114.0(11) . . ?
C22 N5 Co2 115.9(9) . . ?
C27 N6 Co2 112.9(11) . . ?
C32 N7 Co3 113.7(10) . . ?
C37 N8 Co3 112.1(9) . . ?
C42 N9 Co3 115.4(11) . . ?
C47 N10 Co4 111.4(9) . . ?
C52 N11 Co4 114.0(9) . . ?
C57 N12 Co4 118.6(11) . . ?
C62 N13 Co6 112.3(11) . . ?
C67 N14 Co6 118.0(13) . . ?
C72 N15 Co6 111.4(11) . . ?
C77 N16 Co5 115.7(9) . . ?
C82 N17 Co5 118.4(14) . . ?
C87 N18 Co5 114.3(12) . . ?
O3W Na1 O4W 83.4(7) . . ?
O3W Na1 O6W 170.4(7) . . ?
O4W Na1 O6W 93.9(7) . . ?
O3W Na1 O2W 94.4(7) . . ?
O4W Na1 O2W 92.9(7) . . ?
O6W Na1 O2W 95.0(6) . . ?
O3W Na1 O1W 88.5(7) . . ?
O4W Na1 O1W 171.8(8) . . ?
O6W Na1 O1W 94.3(7) . . ?
O2W Na1 O1W 86.5(7) . . ?
O3W Na1 O5W 85.7(8) . . ?
O4W Na1 O5W 94.0(7) . . ?
O6W Na1 O5W 85.2(7) . . ?
O2W Na1 O5W 173.0(8) . . ?
O1W Na1 O5W 86.5(7) . . ?
O7W Na2 O12W 164.2(6) . . ?
O7W Na2 O10W 92.5(6) . . ?
O12W Na2 O10W 101.8(6) . . ?
O7W Na2 O9W 98.6(6) . . ?
O12W Na2 O9W 89.5(6) . . ?
O10W Na2 O9W 84.9(6) . . ?
O7W Na2 O11W 88.2(6) . . ?
O12W Na2 O11W 85.5(6) . . ?
O10W Na2 O11W 88.2(6) . . ?
O9W Na2 O11W 170.4(6) . . ?
O7W Na2 O8W 84.3(5) . . ?
O12W Na2 O8W 83.1(5) . . ?
O10W Na2 O8W 167.5(7) . . ?
O9W Na2 O8W 83.7(6) . . ?
O11W Na2 O8W 103.7(5) . . ?
C1 S1 Co1 101.5(5) . . ?
C1 S1 Au1 108.0(5) . . ?
Co1 S1 Au1 117.73(18) . . ?
C6 S2 Co1 101.6(6) . . ?
C6 S2 Au2 107.5(5) . . ?
Co1 S2 Au2 111.15(16) . . ?
C11 S3 Co1 100.0(4) . . ?
C11 S3 Au3 109.2(4) . . ?
Co1 S3 Au3 114.87(17) . . ?
C16 S4 Co2 102.2(6) . . ?
C16 S4 Au1 109.1(6) . . ?
Co2 S4 Au1 112.75(18) . . ?
C21 S5 Co2 100.2(5) . . ?
C21 S5 Au2 107.3(6) . . ?
Co2 S5 Au2 118.15(17) . . ?
C26 S6 Co2 101.5(6) . . ?
C26 S6 Au3 105.3(6) . . ?
Co2 S6 Au3 112.84(17) . . ?
C31 S7 Co3 101.8(5) . . ?
C31 S7 Au4 107.1(5) . . ?
Co3 S7 Au4 112.68(17) . . ?
C36 S8 Co3 101.6(5) . . ?
C36 S8 Au5 104.5(5) . . ?
Co3 S8 Au5 116.39(18) . . ?
C41 S9 Co3 104.3(6) . . ?
C41 S9 Au6 110.6(6) . . ?
Co3 S9 Au6 115.31(18) . . ?
C46 S10 Co4 98.4(5) . . ?
C46 S10 Au4 108.3(5) . . ?
Co4 S10 Au4 115.95(18) . . ?
C51 S11 Co4 102.7(5) . . ?
C51 S11 Au5 105.9(5) . . ?
Co4 S11 Au5 112.08(18) . . ?
C56 S12 Co4 100.8(5) . . ?
C56 S12 Au6 106.1(5) . . ?
Co4 S12 Au6 116.43(18) . . ?
C61 S13 Co6 101.1(6) . . ?
C61 S13 Au7 105.4(6) . . ?
Co6 S13 Au7 115.68(19) . . ?
C66 S14 Co6 102.0(6) . . ?
C66 S14 Au8 108.6(6) . . ?
Co6 S14 Au8 116.0(2) . . ?
C71 S15 Co6 102.6(7) . . ?
C71 S15 Au9 108.1(8) . . ?
Co6 S15 Au9 110.71(18) . . ?
C76 S16 Co5 102.2(5) . . ?
C76 S16 Au7 108.0(6) . . ?
Co5 S16 Au7 113.43(15) . . ?
C81 S17 Co5 101.8(7) . . ?
C81 S17 Au8 108.9(6) . . ?
Co5 S17 Au8 113.86(18) . . ?
C86 S18 Co5 100.0(6) . . ?
C86 S18 Au9 106.5(6) . . ?
Co5 S18 Au9 116.3(2) . . ?
N1 Co1 N2 93.6(6) . . ?
N1 Co1 N3 89.8(6) . . ?
N2 Co1 N3 88.7(6) . . ?
N1 Co1 S2 89.7(5) . . ?
N2 Co1 S2 85.5(4) . . ?
N3 Co1 S2 174.1(4) . . ?
N1 Co1 S3 174.2(5) . . ?
N2 Co1 S3 87.7(4) . . ?
N3 Co1 S3 84.6(4) . . ?
S2 Co1 S3 96.01(15) . . ?
N1 Co1 S1 85.3(4) . . ?
N2 Co1 S1 178.8(4) . . ?
N3 Co1 S1 91.8(4) . . ?
S2 Co1 S1 93.99(16) . . ?
S3 Co1 S1 93.45(15) . . ?
N5 Co2 N6 90.1(6) . . ?
N5 Co2 N4 89.9(6) . . ?
N6 Co2 N4 90.0(6) . . ?
N5 Co2 S5 83.9(4) . . ?
N6 Co2 S5 90.6(4) . . ?
N4 Co2 S5 173.7(5) . . ?
N5 Co2 S4 92.3(4) . . ?
N6 Co2 S4 175.3(4) . . ?
N4 Co2 S4 86.0(4) . . ?
S5 Co2 S4 93.60(16) . . ?
N5 Co2 S6 174.9(4) . . ?
N6 Co2 S6 84.9(4) . . ?
N4 Co2 S6 90.7(5) . . ?
S5 Co2 S6 95.57(15) . . ?
S4 Co2 S6 92.74(16) . . ?
N7 Co3 N9 92.1(6) . . ?
N7 Co3 N8 91.6(6) . . ?
N9 Co3 N8 87.9(6) . . ?
N7 Co3 S9 175.6(5) . . ?
N9 Co3 S9 84.8(4) . . ?
N8 Co3 S9 91.4(4) . . ?
N7 Co3 S8 89.0(5) . . ?
N9 Co3 S8 173.8(4) . . ?
N8 Co3 S8 85.9(4) . . ?
S9 Co3 S8 94.36(17) . . ?
N7 Co3 S7 84.3(4) . . ?
N9 Co3 S7 90.1(4) . . ?
N8 Co3 S7 175.4(4) . . ?
S9 Co3 S7 92.59(16) . . ?
S8 Co3 S7 96.07(16) . . ?
N10 Co4 N11 89.0(5) . . ?
N10 Co4 N12 87.3(5) . . ?
N11 Co4 N12 93.3(6) . . ?
N10 Co4 S11 173.1(4) . . ?
N11 Co4 S11 84.9(4) . . ?
N12 Co4 S11 90.0(4) . . ?
N10 Co4 S10 86.5(4) . . ?
N11 Co4 S10 89.0(4) . . ?
N12 Co4 S10 173.3(4) . . ?
S11 Co4 S10 96.55(15) . . ?
N10 Co4 S12 92.6(4) . . ?
N11 Co4 S12 177.6(4) . . ?
N12 Co4 S12 85.0(4) . . ?
S11 Co4 S12 93.38(15) . . ?
S10 Co4 S12 92.92(16) . . ?
N16 Co5 N18 89.6(6) . . ?
N16 Co5 N17 93.7(6) . . ?
N18 Co5 N17 88.9(7) . . ?
N16 Co5 S17 177.9(4) . . ?
N18 Co5 S17 91.8(5) . . ?
N17 Co5 S17 84.7(5) . . ?
N16 Co5 S16 84.5(4) . . ?
N18 Co5 S16 174.0(5) . . ?
N17 Co5 S16 91.0(5) . . ?
S17 Co5 S16 94.07(15) . . ?
N16 Co5 S18 87.2(4) . . ?
N18 Co5 S18 84.8(5) . . ?
N17 Co5 S18 173.6(5) . . ?
S17 Co5 S18 94.56(18) . . ?
S16 Co5 S18 95.46(17) . . ?
N14 Co6 N13 89.7(7) . . ?
N14 Co6 N15 92.7(7) . . ?
N13 Co6 N15 88.4(6) . . ?
N14 Co6 S13 174.5(6) . . ?
N13 Co6 S13 85.0(5) . . ?
N15 Co6 S13 88.7(5) . . ?
N14 Co6 S14 84.5(5) . . ?
N13 Co6 S14 91.7(5) . . ?
N15 Co6 S14 177.2(5) . . ?
S13 Co6 S14 94.05(18) . . ?
N14 Co6 S15 88.8(5) . . ?
N13 Co6 S15 172.6(5) . . ?
N15 Co6 S15 84.4(5) . . ?
S13 Co6 S15 96.70(17) . . ?
S14 Co6 S15 95.37(18) . . ?
S4 Au1 S1 176.77(15) . . ?
S4 Au1 Au2 87.32(11) . . ?
S1 Au1 Au2 94.13(11) . . ?
S4 Au1 Au3 100.32(10) . . ?
S1 Au1 Au3 82.90(11) . . ?
Au2 Au1 Au3 61.61(2) . . ?
S2 Au2 S5 172.78(15) . . ?
S2 Au2 Au1 90.79(11) . . ?
S5 Au2 Au1 96.42(10) . . ?
S2 Au2 Au3 101.99(10) . . ?
S5 Au2 Au3 82.17(9) . . ?
Au1 Au2 Au3 59.26(2) . . ?
S3 Au3 S6 174.72(14) . . ?
S3 Au3 Au1 101.72(10) . . ?
S6 Au3 Au1 83.41(10) . . ?
S3 Au3 Au2 82.51(9) . . ?
S6 Au3 Au2 101.37(10) . . ?
Au1 Au3 Au2 59.13(2) . . ?
S10 Au4 S7 174.37(14) . . ?
S10 Au4 Au6 99.69(10) . . ?
S7 Au4 Au6 85.76(10) . . ?
S10 Au4 Au5 83.17(9) . . ?
S7 Au4 Au5 100.94(9) . . ?
Au6 Au4 Au5 59.31(2) . . ?
S11 Au5 S8 172.39(15) . . ?
S11 Au5 Au6 88.71(10) . . ?
S8 Au5 Au6 98.63(11) . . ?
S11 Au5 Au4 102.11(10) . . ?
S8 Au5 Au4 83.49(10) . . ?
Au6 Au5 Au4 59.37(2) . . ?
S12 Au6 S9 177.06(15) . . ?
S12 Au6 Au5 95.98(11) . . ?
S9 Au6 Au5 85.94(11) . . ?
S12 Au6 Au4 85.09(10) . . ?
S9 Au6 Au4 97.80(11) . . ?
Au5 Au6 Au4 61.32(2) . . ?
S16 Au7 S13 174.73(14) . . ?
S16 Au7 Au8 85.60(10) . . ?
S13 Au7 Au8 99.44(10) . . ?
S16 Au7 Au9 101.24(8) . . ?
S13 Au7 Au9 82.76(9) . . ?
Au8 Au7 Au9 59.73(2) . . ?
S14 Au8 S17 176.13(16) . . ?
S14 Au8 Au7 85.11(12) . . ?
S17 Au8 Au7 98.57(10) . . ?
S14 Au8 Au9 96.41(12) . . ?
S17 Au8 Au9 86.42(11) . . ?
Au7 Au8 Au9 61.49(2) . . ?
S18 Au9 S15 173.66(16) . . ?
S18 Au9 Au8 97.57(11) . . ?
S15 Au9 Au8 88.71(11) . . ?
S18 Au9 Au7 82.55(11) . . ?
S15 Au9 Au7 101.58(10) . . ?
Au8 Au9 Au7 58.78(2) . . ?
O66 C91 C95 110(2) . . ?
O66 C91 C92 104.5(19) . . ?
C95 C91 C92 111.1(17) . . ?
O37 C92 C93 105.8(18) . . ?
O37 C92 C91 111(2) . . ?
C93 C92 C91 105.4(17) . . ?
O38 C93 C92 107.9(19) . . ?
O38 C93 C94 109.6(19) . . ?
C92 C93 C94 111.1(17) . . ?
O39 C94 O41 113.1(16) . . ?
O39 C94 C93 107.3(15) . . ?
O41 C94 C93 105.4(16) . . ?
C94 O39 C95 113.7(15) . . ?
O39 C95 C96 103.6(16) . . ?
O39 C95 C91 111.8(17) . . ?
C96 C95 C91 114.7(18) . . ?
O40 C96 C95 114.1(19) . . ?
C94 O41 C97 115.0(15) . . ?
O41 C97 C101 109.9(14) . . ?
O41 C97 C98 104.9(15) . . ?
C101 C97 C98 111.9(13) . . ?
O42 C98 C99 112.4(16) . . ?
O42 C98 C97 108.8(15) . . ?
C99 C98 C97 107.7(14) . . ?
O43 C99 C98 110.8(15) . . ?
O43 C99 C100 111.6(14) . . ?
C98 C99 C100 112.0(14) . . ?
O44 C100 O46 110.6(14) . . ?
O44 C100 C99 110.8(13) . . ?
O46 C100 C99 106.5(14) . . ?
C100 O44 C101 113.0(13) . . ?
O44 C101 C102 106.0(14) . . ?
O44 C101 C97 111.5(12) . . ?
C102 C101 C97 114.9(14) . . ?
O45 C102 C101 112.9(15) . . ?
C103 O46 C100 122.2(16) . . ?
O46 C103 C107 107.0(14) . . ?
O46 C103 C104 107.1(15) . . ?
C107 C103 C104 111.2(13) . . ?
O47 C104 C105 103.0(16) . . ?
O47 C104 C103 107.8(16) . . ?
C105 C104 C103 109.7(15) . . ?
O48 C105 C104 111.2(17) . . ?
O48 C105 C106 114.8(18) . . ?
C104 C105 C106 112.0(15) . . ?
O49 C106 O51 113.3(15) . . ?
O49 C106 C105 109.5(15) . . ?
O51 C106 C105 102.8(16) . . ?
C106 O49 C107 112.7(14) . . ?
O49 C107 C108 105.4(14) . . ?
O49 C107 C103 110.6(13) . . ?
C108 C107 C103 112.8(13) . . ?
O50 C108 C107 116.3(15) . . ?
C109 O51 C106 120.1(18) . . ?
O51 C109 C113 108.2(17) . . ?
O51 C109 C110 108.8(18) . . ?
C113 C109 C110 113.6(16) . . ?
O52 C110 C111 110.5(18) . . ?
O52 C110 C109 112.6(18) . . ?
C111 C110 C109 107.3(16) . . ?
O53 C111 C110 107(2) . . ?
O53 C111 C112 111(2) . . ?
C110 C111 C112 112.9(17) . . ?
O54 C112 O56 112.2(19) . . ?
O54 C112 C111 111.7(18) . . ?
O56 C112 C111 102.0(18) . . ?
C112 O54 C113 111.7(16) . . ?
O54 C113 C114 101.3(17) . . ?
O54 C113 C109 110.3(17) . . ?
C114 C113 C109 115.4(19) . . ?
O55 C114 C113 114(2) . . ?
C112 O56 C115 119(2) . . ?
O56 C115 C119 108(2) . . ?
O56 C115 C116 105(2) . . ?
C119 C115 C116 110.8(18) . . ?
O57 C116 C117 103(2) . . ?
O57 C116 C115 118(2) . . ?
C117 C116 C115 108(2) . . ?
O58 C117 C116 110(2) . . ?
O58 C117 C118 114(2) . . ?
C116 C117 C118 111.5(19) . . ?
O59 C118 O61 110(2) . . ?
O59 C118 C117 110.6(19) . . ?
O61 C118 C117 105.2(19) . . ?
C118 O59 C119 112.9(18) . . ?
O59 C119 C120 102.9(18) . . ?
O59 C119 C115 111.2(19) . . ?
C120 C119 C115 115(2) . . ?
O60 C120 C119 114(2) . . ?
C121 O61 C118 122(2) . . ?
O61 C121 C125 108(2) . . ?
O61 C121 C122 107(2) . . ?
C125 C121 C122 111.3(17) . . ?
O62 C122 C123 108.9(18) . . ?
O62 C122 C121 114(2) . . ?
C123 C122 C121 109.6(18) . . ?
O63 C123 C122 111.4(18) . . ?
O63 C123 C124 113.6(18) . . ?
C122 C123 C124 110.5(16) . . ?
O64 C124 O66 113.7(18) . . ?
O64 C124 C123 112.3(17) . . ?
O66 C124 C123 103.9(17) . . ?
C124 O64 C125 113.7(16) . . ?
O64 C125 C126 105.9(19) . . ?
O64 C125 C121 111.0(18) . . ?
C126 C125 C121 114(2) . . ?
O65 C126 C125 114(2) . . ?
C91 O66 C124 122.3(19) . . ?
O96 C127 C131 103.8(16) . . ?
O96 C127 C128 109.0(18) . . ?
C131 C127 C128 111.1(15) . . ?
O67 C128 C129 106.4(18) . . ?
O67 C128 C127 109.4(18) . . ?
C129 C128 C127 107.8(17) . . ?
O68 C129 C130 111.6(19) . . ?
O68 C129 C128 110(2) . . ?
C130 C129 C128 106.8(17) . . ?
O69 C130 O71 110.2(16) . . ?
O69 C130 C129 113.1(16) . . ?
O71 C130 C129 106.7(17) . . ?
C130 O69 C131 112.4(15) . . ?
O69 C131 C132 104.3(16) . . ?
O69 C131 C127 109.7(15) . . ?
C132 C131 C127 113.1(17) . . ?
O70 C132 C131 114.8(18) . . ?
C130 O71 C133 115.7(15) . . ?
O71 C133 C137 106.2(14) . . ?
O71 C133 C134 105.3(13) . . ?
C137 C133 C134 110.1(12) . . ?
O72 C134 C135 109.7(13) . . ?
O72 C134 C133 110.6(14) . . ?
C135 C134 C133 110.0(12) . . ?
O73 C135 C134 110.7(13) . . ?
O73 C135 C136 112.6(13) . . ?
C134 C135 C136 109.1(12) . . ?
O74 C136 O76 112.5(13) . . ?
O74 C136 C135 109.1(12) . . ?
O76 C136 C135 104.4(12) . . ?
C136 O74 C137 113.8(12) . . ?
O74 C137 C138 104.3(13) . . ?
O74 C137 C133 107.6(13) . . ?
C138 C137 C133 114.2(14) . . ?
O75 C138 C137 113.9(15) . . ?
C139 O76 C136 120.0(13) . . ?
O76 C139 C143 110.9(13) . . ?
O76 C139 C140 106.1(13) . . ?
C143 C139 C140 114.6(13) . . ?
O77 C140 C141 105.6(15) . . ?
O77 C140 C139 112.1(15) . . ?
C141 C140 C139 109.3(14) . . ?
O78 C141 C140 112.1(17) . . ?
O78 C141 C142 111.7(15) . . ?
C140 C141 C142 109.4(15) . . ?
O79 C142 O81 116.4(16) . . ?
O79 C142 C141 111.3(14) . . ?
O81 C142 C141 105.7(15) . . ?
C142 O79 C143 110.0(14) . . ?
O79 C143 C144 105.2(14) . . ?
O79 C143 C139 112.2(14) . . ?
C144 C143 C139 113.4(14) . . ?
O80 C144 C143 114.0(15) . . ?
C145 O81 C142 118.9(19) . . ?
O81 C145 C149 105.1(19) . . ?
O81 C145 C146 108(2) . . ?
C149 C145 C146 110.6(16) . . ?
O82 C146 C147 110.6(15) . . ?
O82 C146 C145 112.9(18) . . ?
C147 C146 C145 112.1(18) . . ?
O83 C147 C146 113.0(19) . . ?
O83 C147 C148 112.9(19) . . ?
C146 C147 C148 110.7(17) . . ?
O84 C148 O86 112.0(19) . . ?
O84 C148 C147 111.5(17) . . ?
O86 C148 C147 107(2) . . ?
C148 O84 C149 113.5(17) . . ?
O84 C149 C150 105.1(18) . . ?
O84 C149 C145 108.9(17) . . ?
C150 C149 C145 113.3(19) . . ?
O85 C150 C149 115(2) . . ?
C151 O86 C148 120(3) . . ?
O86 C151 C155 119(3) . . ?
O86 C151 C152 111(3) . . ?
C155 C151 C152 115.0(17) . . ?
O87 C152 C153 112.2(13) . . ?
O87 C152 C151 120(2) . . ?
C153 C152 C151 117.0(18) . . ?
O88 C153 C152 112.4(13) . . ?
O88 C153 C154 114(2) . . ?
C152 C153 C154 113.0(19) . . ?
O89 C154 O91 110(2) . . ?
O89 C154 C153 117(2) . . ?
O91 C154 C153 97(2) . . ?
C154 O89 C155 115(2) . . ?
O89 C155 C156 110.8(18) . . ?
O89 C155 C151 111(2) . . ?
C156 C155 C151 113(2) . . ?
O90 C156 C155 116(3) . . ?
C157 O91 C154 127(4) . . ?
O91 C157 C161 100(3) . . ?
O91 C157 C158 112(3) . . ?
C161 C157 C158 113.9(19) . . ?
O92 C158 C159 107(2) . . ?
O92 C158 C157 109(2) . . ?
C159 C158 C157 108(2) . . ?
O93 C159 C158 115(2) . . ?
O93 C159 C160 111.7(18) . . ?
C158 C159 C160 114.7(17) . . ?
O94 C160 O96 110.2(18) . . ?
O94 C160 C159 111.0(18) . . ?
O96 C160 C159 102.5(18) . . ?
C160 O94 C161 111.5(17) . . ?
O94 C161 C162 104.2(19) . . ?
O94 C161 C157 109(2) . . ?
C162 C161 C157 113(2) . . ?
O95 C162 C161 115(2) . . ?
C160 O96 C127 118.8(18) . . ?
O126 C163 C167 109(2) . . ?
O126 C163 C164 103.8(18) . . ?
C167 C163 C164 112.0(16) . . ?
O97 C164 C165 107.5(18) . . ?
O97 C164 C163 108.4(18) . . ?
C165 C164 C163 106.5(17) . . ?
O98 C165 C166 110.4(19) . . ?
O98 C165 C164 116(2) . . ?
C166 C165 C164 109.3(17) . . ?
O99 C166 O101 109.8(16) . . ?
O99 C166 C165 112.9(17) . . ?
O101 C166 C165 107.3(17) . . ?
C166 O99 C167 112.4(16) . . ?
O99 C167 C168 104.1(17) . . ?
O99 C167 C163 111.4(17) . . ?
C168 C167 C163 113.5(17) . . ?
O100 C168 C167 114.3(18) . . ?
C169 O101 C166 118.6(16) . . ?
O101 C169 C170 106.5(15) . . ?
O101 C169 C173 108.2(16) . . ?
C170 C169 C173 111.4(13) . . ?
O102 C170 C171 109.7(14) . . ?
O102 C170 C169 112.5(15) . . ?
C171 C170 C169 110.8(13) . . ?
O103 C171 C170 114.1(15) . . ?
O103 C171 C172 111.0(14) . . ?
C170 C171 C172 110.6(13) . . ?
O104 C172 O106 110.9(14) . . ?
O104 C172 C171 109.6(13) . . ?
O106 C172 C171 106.5(13) . . ?
C172 O104 C173 115.7(13) . . ?
O104 C173 C174 106.9(15) . . ?
O104 C173 C169 106.8(14) . . ?
C174 C173 C169 112.9(15) . . ?
O105 C174 C173 113.6(15) . . ?
C172 O106 C175 120.5(16) . . ?
O106 C175 C179 107.0(16) . . ?
O106 C175 C176 104.1(17) . . ?
C179 C175 C176 112.9(15) . . ?
O107 C176 C177 105.8(17) . . ?
O107 C176 C175 110.3(18) . . ?
C177 C176 C175 109.3(17) . . ?
O108 C177 C176 108.6(19) . . ?
O108 C177 C178 111.4(18) . . ?
C176 C177 C178 112.6(17) . . ?
O109 C178 O111 118.2(17) . . ?
O109 C178 C177 107.4(16) . . ?
O111 C178 C177 103.3(17) . . ?
C178 O109 C179 111.5(15) . . ?
O109 C179 C180 104.6(15) . . ?
O109 C179 C175 108.1(15) . . ?
C180 C179 C175 112.8(16) . . ?
O110 C180 C179 112.0(17) . . ?
C178 O111 C181 119.3(19) . . ?
O111 C181 C182 101.7(18) . . ?
O111 C181 C185 115(2) . . ?
C182 C181 C185 112.2(17) . . ?
O112 C182 C183 110.7(16) . . ?
O112 C182 C181 108.4(16) . . ?
C183 C182 C181 109.5(16) . . ?
O113 C183 C182 109.8(19) . . ?
O113 C183 C184 111(2) . . ?
C182 C183 C184 107.6(17) . . ?
O114 C184 O116 111(2) . . ?
O114 C184 C183 112.5(19) . . ?
O116 C184 C183 104.5(19) . . ?
C184 O114 C185 113.1(19) . . ?
O114 C185 C186 105(2) . . ?
O114 C185 C181 107.5(19) . . ?
C186 C185 C181 112(2) . . ?
O115 C186 C185 114(2) . . ?
C184 O116 C187 112(2) . . ?
C191 C187 O116 108(3) . . ?
C191 C187 C188 115(2) . . ?
O116 C187 C188 95(2) . . ?
O117 C188 C189 110(2) . . ?
O117 C188 C187 114(2) . . ?
C189 C188 C187 109(2) . . ?
O118 C189 C188 112(2) . . ?
O118 C189 C190 113(2) . . ?
C188 C189 C190 111(2) . . ?
O119 C190 O121 114(2) . . ?
O119 C190 C189 114(2) . . ?
O121 C190 C189 102(2) . . ?
C190 O119 C191 115(2) . . ?
O119 C191 C192 108(2) . . ?
O119 C191 C187 108(2) . . ?
C192 C191 C187 118(2) . . ?
O120 C192 C191 116(2) . . ?
C193 O121 C190 120(3) . . ?
O121 C193 C197 110(3) . . ?
O121 C193 C194 108(3) . . ?
C197 C193 C194 115(2) . . ?
O122 C194 C195 107(2) . . ?
O122 C194 C193 108(2) . . ?
C195 C194 C193 112(2) . . ?
O123 C195 C194 114(2) . . ?
O123 C195 C196 111.5(19) . . ?
C194 C195 C196 112.3(17) . . ?
O124 C196 O126 114(2) . . ?
O124 C196 C195 112.9(18) . . ?
O126 C196 C195 101.5(18) . . ?
C196 O124 C197 113.4(18) . . ?
O124 C197 C198 107(2) . . ?
O124 C197 C193 110(2) . . ?
C198 C197 C193 119(2) . . ?
O125 C198 C197 114(2) . . ?
C196 O126 C163 120(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 C1 C2 C3 -72.6(19) . . . . ?
C5 C1 C2 C3 51.2(19) . . . . ?
S1 C1 C2 C3 171.3(13) . . . . ?
C4 C1 C2 N1 165.7(13) . . . . ?
C5 C1 C2 N1 -70.5(17) . . . . ?
S1 C1 C2 N1 49.6(15) . . . . ?
N1 C2 C3 O2 24(3) . . . . ?
C1 C2 C3 O2 -97(2) . . . . ?
N1 C2 C3 O1 -157.2(17) . . . . ?
C1 C2 C3 O1 82(2) . . . . ?
C9 C6 C7 N2 173.1(14) . . . . ?
C10 C6 C7 N2 -66.2(18) . . . . ?
S2 C6 C7 N2 56.1(15) . . . . ?
C9 C6 C7 C8 -59.3(19) . . . . ?
C10 C6 C7 C8 61.5(19) . . . . ?
S2 C6 C7 C8 -176.3(12) . . . . ?
N2 C7 C8 O4 -147.5(16) . . . . ?
C6 C7 C8 O4 88(2) . . . . ?
N2 C7 C8 O3 38(2) . . . . ?
C6 C7 C8 O3 -86.5(19) . . . . ?
C15 C11 C12 N3 -61.8(16) . . . . ?
C14 C11 C12 N3 171.1(13) . . . . ?
S3 C11 C12 N3 56.8(13) . . . . ?
C15 C11 C12 C13 63.0(16) . . . . ?
C14 C11 C12 C13 -64.1(17) . . . . ?
S3 C11 C12 C13 -178.4(10) . . . . ?
N3 C12 C13 O6 -145.8(14) . . . . ?
C11 C12 C13 O6 92.9(16) . . . . ?
N3 C12 C13 O5 28.0(19) . . . . ?
C11 C12 C13 O5 -93.4(16) . . . . ?
C20 C16 C17 N4 166.7(16) . . . . ?
C19 C16 C17 N4 -68(2) . . . . ?
S4 C16 C17 N4 54.4(16) . . . . ?
C20 C16 C17 C18 -66(2) . . . . ?
C19 C16 C17 C18 60(2) . . . . ?
S4 C16 C17 C18 -178.0(14) . . . . ?
N4 C17 C18 O8 -164(2) . . . . ?
C16 C17 C18 O8 69(3) . . . . ?
N4 C17 C18 O7 26(3) . . . . ?
C16 C17 C18 O7 -101(2) . . . . ?
C25 C21 C22 N5 -67.5(17) . . . . ?
C24 C21 C22 N5 171.2(13) . . . . ?
S5 C21 C22 N5 57.0(13) . . . . ?
C25 C21 C22 C23 61(2) . . . . ?
C24 C21 C22 C23 -60.5(19) . . . . ?
S5 C21 C22 C23 -174.7(12) . . . . ?
N5 C22 C23 O10 -150.1(15) . . . . ?
C21 C22 C23 O10 86(2) . . . . ?
N5 C22 C23 O9 41(2) . . . . ?
C21 C22 C23 O9 -83(2) . . . . ?
C29 C26 C27 N6 -65.6(19) . . . . ?
C30 C26 C27 N6 168.1(15) . . . . ?
S6 C26 C27 N6 54.0(16) . . . . ?
C29 C26 C27 C28 59.5(19) . . . . ?
C30 C26 C27 C28 -66.8(19) . . . . ?
S6 C26 C27 C28 179.1(12) . . . . ?
N6 C27 C28 O12 31(2) . . . . ?
C26 C27 C28 O12 -95(2) . . . . ?
N6 C27 C28 O11 -148.3(16) . . . . ?
C26 C27 C28 O11 86(2) . . . . ?
C35 C31 C32 N7 168.9(14) . . . . ?
C34 C31 C32 N7 -66.0(17) . . . . ?
S7 C31 C32 N7 55.4(14) . . . . ?
C35 C31 C32 C33 -66.6(19) . . . . ?
C34 C31 C32 C33 58.5(19) . . . . ?
S7 C31 C32 C33 179.9(12) . . . . ?
N7 C32 C33 O13 33(2) . . . . ?
C31 C32 C33 O13 -89(2) . . . . ?
N7 C32 C33 O14 -150.8(17) . . . . ?
C31 C32 C33 O14 87(2) . . . . ?
C40 C36 C37 C38 57.8(18) . . . . ?
C39 C36 C37 C38 -65.8(18) . . . . ?
S8 C36 C37 C38 -179(100) . . . . ?
C40 C36 C37 N8 -63.9(15) . . . . ?
C39 C36 C37 N8 172.6(13) . . . . ?
S8 C36 C37 N8 59.6(12) . . . . ?
C36 C37 C38 O15 93.1(17) . . . . ?
N8 C37 C38 O15 -146.9(14) . . . . ?
C36 C37 C38 O16 -83.6(18) . . . . ?
N8 C37 C38 O16 36.4(19) . . . . ?
C45 C41 C42 N9 165.1(16) . . . . ?
C44 C41 C42 N9 -68(2) . . . . ?
S9 C41 C42 N9 49.3(17) . . . . ?
C45 C41 C42 C43 -70(2) . . . . ?
C44 C41 C42 C43 57(2) . . . . ?
S9 C41 C42 C43 174.2(14) . . . . ?
N9 C42 C43 O18 6(3) . . . . ?
C41 C42 C43 O18 -118(2) . . . . ?
N9 C42 C43 O17 -171(2) . . . . ?
C41 C42 C43 O17 65(3) . . . . ?
C49 C46 C47 N10 -67.5(17) . . . . ?
C50 C46 C47 N10 171.0(15) . . . . ?
S10 C46 C47 N10 58.8(13) . . . . ?
C49 C46 C47 C48 56.3(19) . . . . ?
C50 C46 C47 C48 -65(2) . . . . ?
S10 C46 C47 C48 -177.5(11) . . . . ?
C46 C47 C48 O19 -81(2) . . . . ?
N10 C47 C48 O19 44(2) . . . . ?
C46 C47 C48 O20 88.5(19) . . . . ?
N10 C47 C48 O20 -146.5(15) . . . . ?
C54 C51 C52 N11 170.2(14) . . . . ?
C55 C51 C52 N11 -58.7(16) . . . . ?
S11 C51 C52 N11 54.9(13) . . . . ?
C54 C51 C52 C53 -64.1(17) . . . . ?
C55 C51 C52 C53 67.0(16) . . . . ?
S11 C51 C52 C53 -179.3(11) . . . . ?
N11 C52 C53 O21 37(2) . . . . ?
C51 C52 C53 O21 -87.2(18) . . . . ?
N11 C52 C53 O22 -142.4(15) . . . . ?
C51 C52 C53 O22 93.4(17) . . . . ?
C60 C56 C57 N12 -71.6(16) . . . . ?
C59 C56 C57 N12 162.3(13) . . . . ?
S12 C56 C57 N12 50.9(13) . . . . ?
C60 C56 C57 C58 53.4(18) . . . . ?
C59 C56 C57 C58 -72.7(17) . . . . ?
S12 C56 C57 C58 176.0(12) . . . . ?
N12 C57 C58 O24 -159.0(19) . . . . ?
C56 C57 C58 O24 77(2) . . . . ?
N12 C57 C58 O23 26(2) . . . . ?
C56 C57 C58 O23 -97(2) . . . . ?
C65 C61 C62 N13 -57(2) . . . . ?
C64 C61 C62 N13 167.4(15) . . . . ?
S13 C61 C62 N13 61.1(15) . . . . ?
C65 C61 C62 C63 65(2) . . . . ?
C64 C61 C62 C63 -70.0(19) . . . . ?
S13 C61 C62 C63 -176.3(12) . . . . ?
N13 C62 C63 O26 -145.6(16) . . . . ?
C61 C62 C63 O26 93.2(19) . . . . ?
N13 C62 C63 O25 34(2) . . . . ?
C61 C62 C63 O25 -87(2) . . . . ?
C70 C66 C67 N14 163.2(16) . . . . ?
C69 C66 C67 N14 -68(2) . . . . ?
S14 C66 C67 N14 50.8(15) . . . . ?
C70 C66 C67 C68 -72(2) . . . . ?
C69 C66 C67 C68 57(2) . . . . ?
S14 C66 C67 C68 175.7(14) . . . . ?
N14 C67 C68 O27 -161(2) . . . . ?
C66 C67 C68 O27 78(3) . . . . ?
N14 C67 C68 O28 22(3) . . . . ?
C66 C67 C68 O28 -100(2) . . . . ?
C74 C71 C72 N15 171.1(19) . . . . ?
C75 C71 C72 N15 -58(2) . . . . ?
S15 C71 C72 N15 58.3(17) . . . . ?
C74 C71 C72 C73 -66(2) . . . . ?
C75 C71 C72 C73 65(2) . . . . ?
S15 C71 C72 C73 -178.5(12) . . . . ?
N15 C72 C73 O30 43(2) . . . . ?
C71 C72 C73 O30 -83(2) . . . . ?
N15 C72 C73 O29 -145.0(17) . . . . ?
C71 C72 C73 O29 89(2) . . . . ?
C80 C76 C77 N16 166.8(14) . . . . ?
C79 C76 C77 N16 -62.1(17) . . . . ?
S16 C76 C77 N16 52.2(14) . . . . ?
C80 C76 C77 C78 -69.1(18) . . . . ?
C79 C76 C77 C78 62.1(19) . . . . ?
S16 C76 C77 C78 176.3(12) . . . . ?
N16 C77 C78 O32 27(2) . . . . ?
C76 C77 C78 O32 -93(2) . . . . ?
N16 C77 C78 O31 -150.1(15) . . . . ?
C76 C77 C78 O31 89.8(18) . . . . ?
C85 C81 C82 C83 55(2) . . . . ?
C84 C81 C82 C83 -68(2) . . . . ?
S17 C81 C82 C83 -179.1(16) . . . . ?
C85 C81 C82 N17 -73(2) . . . . ?
C84 C81 C82 N17 163.5(15) . . . . ?
S17 C81 C82 N17 52.2(18) . . . . ?
N17 C82 C83 O34 -165(2) . . . . ?
C81 C82 C83 O34 74(3) . . . . ?
N17 C82 C83 O33 5(3) . . . . ?
C81 C82 C83 O33 -116(2) . . . . ?
C89 C86 C87 N18 -63(2) . . . . ?
C90 C86 C87 N18 165.6(16) . . . . ?
S18 C86 C87 N18 60.8(15) . . . . ?
C89 C86 C87 C88 56(2) . . . . ?
C90 C86 C87 C88 -75(2) . . . . ?
S18 C86 C87 C88 180(100) . . . . ?
N18 C87 C88 O36 -147.1(19) . . . . ?
C86 C87 C88 O36 94(2) . . . . ?
N18 C87 C88 O35 40(3) . . . . ?
C86 C87 C88 O35 -78(2) . . . . ?
C3 C2 N1 Co1 -170.9(12) . . . . ?
C1 C2 N1 Co1 -47.0(17) . . . . ?
C8 C7 N2 Co1 179.9(11) . . . . ?
C6 C7 N2 Co1 -54.8(16) . . . . ?
C11 C12 N3 Co1 -57.6(14) . . . . ?
C13 C12 N3 Co1 -179.0(9) . . . . ?
C18 C17 N4 Co2 -178.7(13) . . . . ?
C16 C17 N4 Co2 -51.1(17) . . . . ?
C21 C22 N5 Co2 -54.6(13) . . . . ?
C23 C22 N5 Co2 175.8(10) . . . . ?
C26 C27 N6 Co2 -54.2(16) . . . . ?
C28 C27 N6 Co2 -179.7(11) . . . . ?
C33 C32 N7 Co3 178.3(10) . . . . ?
C31 C32 N7 Co3 -57.0(15) . . . . ?
C38 C37 N8 Co3 179.9(9) . . . . ?
C36 C37 N8 Co3 -55.3(13) . . . . ?
C43 C42 N9 Co3 -175.0(12) . . . . ?
C41 C42 N9 Co3 -49.3(17) . . . . ?
C46 C47 N10 Co4 -52.5(14) . . . . ?
C48 C47 N10 Co4 -179.6(10) . . . . ?
C53 C52 N11 Co4 -178.5(10) . . . . ?
C51 C52 N11 Co4 -55.5(14) . . . . ?
C58 C57 N12 Co4 -170.2(12) . . . . ?
C56 C57 N12 Co4 -45.3(14) . . . . ?
C61 C62 N13 Co6 -59.0(17) . . . . ?
C63 C62 N13 Co6 -178.9(12) . . . . ?
C66 C67 N14 Co6 -49.9(18) . . . . ?
C68 C67 N14 Co6 -171.3(15) . . . . ?
C71 C72 N15 Co6 -58.5(18) . . . . ?
C73 C72 N15 Co6 176.6(11) . . . . ?
C78 C77 N16 Co5 179.8(11) . . . . ?
C76 C77 N16 Co5 -57.6(14) . . . . ?
C83 C82 N17 Co5 -173.5(15) . . . . ?
C81 C82 N17 Co5 -49.5(19) . . . . ?
C86 C87 N18 Co5 -58.8(17) . . . . ?
C88 C87 N18 Co5 -179.0(13) . . . . ?
C4 C1 S1 Co1 -154.1(9) . . . . ?
C2 C1 S1 Co1 -33.1(11) . . . . ?
C5 C1 S1 Co1 87.1(11) . . . . ?
C4 C1 S1 Au1 81.4(10) . . . . ?
C2 C1 S1 Au1 -157.6(9) . . . . ?
C5 C1 S1 Au1 -37.4(12) . . . . ?
C9 C6 S2 Co1 -154.1(10) . . . . ?
C10 C6 S2 Co1 87.4(12) . . . . ?
C7 C6 S2 Co1 -33.7(11) . . . . ?
C9 C6 S2 Au2 89.1(11) . . . . ?
C10 C6 S2 Au2 -29.4(13) . . . . ?
C7 C6 S2 Au2 -150.5(9) . . . . ?
C15 C11 S3 Co1 91.0(9) . . . . ?
C14 C11 S3 Co1 -154.8(8) . . . . ?
C12 C11 S3 Co1 -32.3(9) . . . . ?
C15 C11 S3 Au3 -29.9(10) . . . . ?
C14 C11 S3 Au3 84.4(9) . . . . ?
C12 C11 S3 Au3 -153.2(8) . . . . ?
C20 C16 S4 Co2 -147.4(14) . . . . ?
C19 C16 S4 Co2 84.1(16) . . . . ?
C17 C16 S4 Co2 -34.7(12) . . . . ?
C20 C16 S4 Au1 93.0(15) . . . . ?
C19 C16 S4 Au1 -35.5(17) . . . . ?
C17 C16 S4 Au1 -154.2(10) . . . . ?
C22 C21 S5 Co2 -37.5(12) . . . . ?
C25 C21 S5 Co2 88.0(11) . . . . ?
C24 C21 S5 Co2 -157.3(10) . . . . ?
C22 C21 S5 Au2 -161.4(9) . . . . ?
C25 C21 S5 Au2 -36.0(12) . . . . ?
C24 C21 S5 Au2 78.7(11) . . . . ?
C27 C26 S6 Co2 -30.4(12) . . . . ?
C29 C26 S6 Co2 90.6(13) . . . . ?
C30 C26 S6 Co2 -151.4(12) . . . . ?
C27 C26 S6 Au3 -148.1(10) . . . . ?
C29 C26 S6 Au3 -27.1(14) . . . . ?
C30 C26 S6 Au3 90.8(13) . . . . ?
C35 C31 S7 Co3 -148.9(11) . . . . ?
C34 C31 S7 Co3 91.2(10) . . . . ?
C32 C31 S7 Co3 -31.9(10) . . . . ?
C35 C31 S7 Au4 92.6(12) . . . . ?
C34 C31 S7 Au4 -27.3(11) . . . . ?
C32 C31 S7 Au4 -150.3(9) . . . . ?
C40 C36 S8 Co3 82.2(12) . . . . ?
C39 C36 S8 Co3 -154.9(11) . . . . ?
C37 C36 S8 Co3 -39.8(10) . . . . ?
C40 C36 S8 Au5 -39.2(12) . . . . ?
C39 C36 S8 Au5 83.6(12) . . . . ?
C37 C36 S8 Au5 -161.3(8) . . . . ?
C45 C41 S9 Co3 -150.1(12) . . . . ?
C42 C41 S9 Co3 -30.4(13) . . . . ?
C44 C41 S9 Co3 86.5(13) . . . . ?
C45 C41 S9 Au6 85.3(13) . . . . ?
C42 C41 S9 Au6 -154.9(10) . . . . ?
C44 C41 S9 Au6 -38.0(15) . . . . ?
C47 C46 S10 Co4 -38.0(10) . . . . ?
C49 C46 S10 Co4 90.3(12) . . . . ?
C50 C46 S10 Co4 -154.2(12) . . . . ?
C47 C46 S10 Au4 -159.0(9) . . . . ?
C49 C46 S10 Au4 -30.7(13) . . . . ?
C50 C46 S10 Au4 84.8(12) . . . . ?
C60 C56 S12 Co4 86.7(11) . . . . ?
C59 C56 S12 Co4 -150.1(10) . . . . ?
C57 C56 S12 Co4 -35.3(9) . . . . ?
C60 C56 S12 Au6 -35.0(12) . . . . ?
C59 C56 S12 Au6 88.1(11) . . . . ?
C57 C56 S12 Au6 -157.1(8) . . . . ?
C70 C66 S14 Co6 -151.3(12) . . . . ?
C69 C66 S14 Co6 88.2(13) . . . . ?
C67 C66 S14 Co6 -33.3(11) . . . . ?
C70 C66 S14 Au8 85.8(12) . . . . ?
C69 C66 S14 Au8 -34.7(14) . . . . ?
C67 C66 S14 Au8 -156.3(9) . . . . ?
C80 C76 S16 Co5 -149.0(11) . . . . ?
C77 C76 S16 Co5 -29.4(11) . . . . ?
C79 C76 S16 Co5 90.1(11) . . . . ?
C80 C76 S16 Au7 91.2(12) . . . . ?
C77 C76 S16 Au7 -149.2(9) . . . . ?
C79 C76 S16 Au7 -29.8(12) . . . . ?
C85 C81 S17 Co5 87.7(16) . . . . ?
C82 C81 S17 Co5 -35.5(13) . . . . ?
C84 C81 S17 Co5 -152.6(10) . . . . ?
C85 C81 S17 Au8 -32.8(17) . . . . ?
C82 C81 S17 Au8 -156.1(11) . . . . ?
C84 C81 S17 Au8 86.9(11) . . . . ?
C89 C86 S18 Co5 90.3(16) . . . . ?
C87 C86 S18 Co5 -37.7(12) . . . . ?
C90 C86 S18 Co5 -149.5(13) . . . . ?
C89 C86 S18 Au9 -31.1(17) . . . . ?
C87 C86 S18 Au9 -159.1(10) . . . . ?
C90 C86 S18 Au9 89.1(13) . . . . ?
O66 C91 C92 O37 -73(3) . . . . ?
C95 C91 C92 O37 168(2) . . . . ?
O66 C91 C92 C93 173(2) . . . . ?
C95 C91 C92 C93 54(3) . . . . ?
O37 C92 C93 O38 63(3) . . . . ?
C91 C92 C93 O38 180(2) . . . . ?
O37 C92 C93 C94 -177(2) . . . . ?
C91 C92 C93 C94 -60(2) . . . . ?
O38 C93 C94 O39 -177(2) . . . . ?
C92 C93 C94 O39 64(2) . . . . ?
O38 C93 C94 O41 62(2) . . . . ?
C92 C93 C94 O41 -57(2) . . . . ?
O41 C94 O39 C95 55(2) . . . . ?
C93 C94 O39 C95 -61(2) . . . . ?
C94 O39 C95 C96 -178.4(17) . . . . ?
C94 O39 C95 C91 58(2) . . . . ?
O66 C91 C95 O39 -168.7(19) . . . . ?
C92 C91 C95 O39 -53(3) . . . . ?
O66 C91 C95 C96 74(3) . . . . ?
C92 C91 C95 C96 -171(2) . . . . ?
O39 C95 C96 O40 -65(3) . . . . ?
C91 C95 C96 O40 57(3) . . . . ?
O39 C94 O41 C97 113.0(19) . . . . ?
C93 C94 O41 C97 -130.1(17) . . . . ?
C94 O41 C97 C101 -102.0(18) . . . . ?
C94 O41 C97 C98 137.5(16) . . . . ?
O41 C97 C98 O42 -67(2) . . . . ?
C101 C97 C98 O42 174.3(16) . . . . ?
O41 C97 C98 C99 171.4(15) . . . . ?
C101 C97 C98 C99 52(2) . . . . ?
O42 C98 C99 O43 60(2) . . . . ?
C97 C98 C99 O43 179.3(16) . . . . ?
O42 C98 C99 C100 -175.2(16) . . . . ?
C97 C98 C99 C100 -55(2) . . . . ?
O43 C99 C100 O44 -175.4(15) . . . . ?
C98 C99 C100 O44 60(2) . . . . ?
O43 C99 C100 O46 64.3(19) . . . . ?
C98 C99 C100 O46 -60.6(19) . . . . ?
O46 C100 O44 C101 59.4(18) . . . . ?
C99 C100 O44 C101 -58.4(18) . . . . ?
C100 O44 C101 C102 -178.6(13) . . . . ?
C100 O44 C101 C97 55.6(18) . . . . ?
O41 C97 C101 O44 -168.5(14) . . . . ?
C98 C97 C101 O44 -52(2) . . . . ?
O41 C97 C101 C102 71(2) . . . . ?
C98 C97 C101 C102 -173.0(16) . . . . ?
O44 C101 C102 O45 -75(2) . . . . ?
C97 C101 C102 O45 49(2) . . . . ?
O44 C100 O46 C103 123.0(17) . . . . ?
C99 C100 O46 C103 -116.6(17) . . . . ?
C100 O46 C103 C107 -113.2(18) . . . . ?
C100 O46 C103 C104 127.4(17) . . . . ?
O46 C103 C104 O47 -83(2) . . . . ?
C107 C103 C104 O47 160.6(17) . . . . ?
O46 C103 C104 C105 165.7(17) . . . . ?
C107 C103 C104 C105 49(2) . . . . ?
O47 C104 C105 O48 63(2) . . . . ?
C103 C104 C105 O48 177(2) . . . . ?
O47 C104 C105 C106 -167.4(19) . . . . ?
C103 C104 C105 C106 -53(2) . . . . ?
O48 C105 C106 O49 -172(2) . . . . ?
C104 C105 C106 O49 59(2) . . . . ?
O48 C105 C106 O51 67(2) . . . . ?
C104 C105 C106 O51 -61(2) . . . . ?
O51 C106 O49 C107 52(2) . . . . ?
C105 C106 O49 C107 -63(2) . . . . ?
C106 O49 C107 C108 -178.1(15) . . . . ?
C106 O49 C107 C103 59.6(19) . . . . ?
O46 C103 C107 O49 -168.4(14) . . . . ?
C104 C103 C107 O49 -52(2) . . . . ?
O46 C103 C107 C108 74(2) . . . . ?
C104 C103 C107 C108 -169.5(17) . . . . ?
O49 C107 C108 O50 56(2) . . . . ?
C103 C107 C108 O50 177.2(18) . . . . ?
O49 C106 O51 C109 113(2) . . . . ?
C105 C106 O51 C109 -128.9(19) . . . . ?
C106 O51 C109 C113 -110(2) . . . . ?
C106 O51 C109 C110 126(2) . . . . ?
O51 C109 C110 O52 -66(3) . . . . ?
C113 C109 C110 O52 173(2) . . . . ?
O51 C109 C110 C111 171.9(19) . . . . ?
C113 C109 C110 C111 51(3) . . . . ?
O52 C110 C111 O53 62(3) . . . . ?
C109 C110 C111 O53 -174(2) . . . . ?
O52 C110 C111 C112 -175(2) . . . . ?
C109 C110 C111 C112 -52(3) . . . . ?
O53 C111 C112 O54 178(2) . . . . ?
C110 C111 C112 O54 58(3) . . . . ?
O53 C111 C112 O56 58(3) . . . . ?
C110 C111 C112 O56 -62(2) . . . . ?
O56 C112 O54 C113 55(3) . . . . ?
C111 C112 O54 C113 -59(2) . . . . ?
C112 O54 C113 C114 -179.8(19) . . . . ?
C112 O54 C113 C109 57(2) . . . . ?
O51 C109 C113 O54 -175.4(19) . . . . ?
C110 C109 C113 O54 -55(3) . . . . ?
O51 C109 C113 C114 70(3) . . . . ?
C110 C109 C113 C114 -169(2) . . . . ?
O54 C113 C114 O55 65(3) . . . . ?
C109 C113 C114 O55 -175(2) . . . . ?
O54 C112 O56 C115 104(2) . . . . ?
C111 C112 O56 C115 -136(2) . . . . ?
C112 O56 C115 C119 -121(2) . . . . ?
C112 O56 C115 C116 121(2) . . . . ?
O56 C115 C116 O57 -72(3) . . . . ?
C119 C115 C116 O57 171(3) . . . . ?
O56 C115 C116 C117 171(2) . . . . ?
C119 C115 C116 C117 54(3) . . . . ?
O57 C116 C117 O58 51(3) . . . . ?
C115 C116 C117 O58 177(3) . . . . ?
O57 C116 C117 C118 178(3) . . . . ?
C115 C116 C117 C118 -56(3) . . . . ?
O58 C117 C118 O59 -177(3) . . . . ?
C116 C117 C118 O59 59(3) . . . . ?
O58 C117 C118 O61 64(3) . . . . ?
C116 C117 C118 O61 -60(3) . . . . ?
O61 C118 O59 C119 58(3) . . . . ?
C117 C118 O59 C119 -58(3) . . . . ?
C118 O59 C119 C120 -179(100) . . . . ?
C118 O59 C119 C115 57(3) . . . . ?
O56 C115 C119 O59 -169(2) . . . . ?
C116 C115 C119 O59 -55(3) . . . . ?
O56 C115 C119 C120 74(3) . . . . ?
C116 C115 C119 C120 -171(2) . . . . ?
O59 C119 C120 O60 -67(3) . . . . ?
C115 C119 C120 O60 54(4) . . . . ?
O59 C118 O61 C121 116(3) . . . . ?
C117 C118 O61 C121 -125(2) . . . . ?
C118 O61 C121 C125 -96(3) . . . . ?
C118 O61 C121 C122 144(2) . . . . ?
O61 C121 C122 O62 -67(3) . . . . ?
C125 C121 C122 O62 175(2) . . . . ?
O61 C121 C122 C123 171(2) . . . . ?
C125 C121 C122 C123 53(3) . . . . ?
O62 C122 C123 O63 52(3) . . . . ?
C121 C122 C123 O63 178(2) . . . . ?
O62 C122 C123 C124 179(2) . . . . ?
C121 C122 C123 C124 -55(3) . . . . ?
O63 C123 C124 O64 -176(2) . . . . ?
C122 C123 C124 O64 58(3) . . . . ?
O63 C123 C124 O66 61(2) . . . . ?
C122 C123 C124 O66 -65(2) . . . . ?
O66 C124 O64 C125 60(2) . . . . ?
C123 C124 O64 C125 -58(3) . . . . ?
C124 O64 C125 C126 178(2) . . . . ?
C124 O64 C125 C121 55(3) . . . . ?
O61 C121 C125 O64 -169(2) . . . . ?
C122 C121 C125 O64 -51(3) . . . . ?
O61 C121 C125 C126 72(3) . . . . ?
C122 C121 C125 C126 -171(3) . . . . ?
O64 C125 C126 O65 -75(3) . . . . ?
C121 C125 C126 O65 47(4) . . . . ?
C95 C91 O66 C124 -108(2) . . . . ?
C92 C91 O66 C124 132(2) . . . . ?
O64 C124 O66 C91 94(3) . . . . ?
C123 C124 O66 C91 -143(2) . . . . ?
O96 C127 C128 O67 -73(2) . . . . ?
C131 C127 C128 O67 173(2) . . . . ?
O96 C127 C128 C129 171.9(18) . . . . ?
C131 C127 C128 C129 58(2) . . . . ?
O67 C128 C129 O68 63(3) . . . . ?
C127 C128 C129 O68 -180(2) . . . . ?
O67 C128 C129 C130 -176(2) . . . . ?
C127 C128 C129 C130 -59(2) . . . . ?
O68 C129 C130 O69 -178(2) . . . . ?
C128 C129 C130 O69 62(2) . . . . ?
O68 C129 C130 O71 60(2) . . . . ?
C128 C129 C130 O71 -59(2) . . . . ?
O71 C130 O69 C131 59(2) . . . . ?
C129 C130 O69 C131 -61(2) . . . . ?
C130 O69 C131 C132 176.9(16) . . . . ?
C130 O69 C131 C127 55(2) . . . . ?
O96 C127 C131 O69 -171.9(16) . . . . ?
C128 C127 C131 O69 -55(2) . . . . ?
O96 C127 C131 C132 72(2) . . . . ?
C128 C127 C131 C132 -170.8(18) . . . . ?
O69 C131 C132 O70 -61(2) . . . . ?
C127 C131 C132 O70 58(3) . . . . ?
O69 C130 O71 C133 113.0(18) . . . . ?
C129 C130 O71 C133 -123.8(17) . . . . ?
C130 O71 C133 C137 -106.0(17) . . . . ?
C130 O71 C133 C134 137.3(15) . . . . ?
O71 C133 C134 O72 -68.3(18) . . . . ?
C137 C133 C134 O72 177.5(15) . . . . ?
O71 C133 C134 C135 170.4(13) . . . . ?
C137 C133 C134 C135 56.3(18) . . . . ?
O72 C134 C135 O73 57.5(19) . . . . ?
C133 C134 C135 O73 179.3(14) . . . . ?
O72 C134 C135 C136 -178.1(14) . . . . ?
C133 C134 C135 C136 -56.3(17) . . . . ?
O73 C135 C136 O74 -177.6(13) . . . . ?
C134 C135 C136 O74 59.0(16) . . . . ?
O73 C135 C136 O76 61.9(17) . . . . ?
C134 C135 C136 O76 -61.5(15) . . . . ?
O76 C136 O74 C137 52.0(18) . . . . ?
C135 C136 O74 C137 -63.4(17) . . . . ?
C136 O74 C137 C138 -176.3(13) . . . . ?
C136 O74 C137 C133 62.0(17) . . . . ?
O71 C133 C137 O74 -169.6(13) . . . . ?
C134 C133 C137 O74 -56.1(18) . . . . ?
O71 C133 C137 C138 75.1(18) . . . . ?
C134 C133 C137 C138 -171.4(15) . . . . ?
O74 C137 C138 O75 -71.9(19) . . . . ?
C133 C137 C138 O75 45(2) . . . . ?
O74 C136 O76 C139 119.6(15) . . . . ?
C135 C136 O76 C139 -122.2(14) . . . . ?
C136 O76 C139 C143 -109.1(16) . . . . ?
C136 O76 C139 C140 125.9(15) . . . . ?
O76 C139 C140 O77 -75.5(19) . . . . ?
C143 C139 C140 O77 161.8(17) . . . . ?
O76 C139 C140 C141 167.8(15) . . . . ?
C143 C139 C140 C141 45(2) . . . . ?
O77 C140 C141 O78 63(2) . . . . ?
C139 C140 C141 O78 -175.9(17) . . . . ?
O77 C140 C141 C142 -172.1(17) . . . . ?
C139 C140 C141 C142 -51(2) . . . . ?
O78 C141 C142 O79 -171.1(18) . . . . ?
C140 C141 C142 O79 64(2) . . . . ?
O78 C141 C142 O81 62(2) . . . . ?
C140 C141 C142 O81 -63.0(19) . . . . ?
O81 C142 O79 C143 56(2) . . . . ?
C141 C142 O79 C143 -65(2) . . . . ?
C142 O79 C143 C144 179.8(15) . . . . ?
C142 O79 C143 C139 56(2) . . . . ?
O76 C139 C143 O79 -167.2(14) . . . . ?
C140 C139 C143 O79 -47(2) . . . . ?
O76 C139 C143 C144 74(2) . . . . ?
C140 C139 C143 C144 -166.0(16) . . . . ?
O79 C143 C144 O80 50(2) . . . . ?
C139 C143 C144 O80 172.9(17) . . . . ?
O79 C142 O81 C145 110(2) . . . . ?
C141 C142 O81 C145 -125.8(19) . . . . ?
C142 O81 C145 C149 -116(2) . . . . ?
C142 O81 C145 C146 126(2) . . . . ?
O81 C145 C146 O82 -69(3) . . . . ?
C149 C145 C146 O82 176(2) . . . . ?
O81 C145 C146 C147 165(2) . . . . ?
C149 C145 C146 C147 51(3) . . . . ?
O82 C146 C147 O83 56(3) . . . . ?
C145 C146 C147 O83 -177(2) . . . . ?
O82 C146 C147 C148 -177(2) . . . . ?
C145 C146 C147 C148 -50(3) . . . . ?
O83 C147 C148 O84 -178(2) . . . . ?
C146 C147 C148 O84 54(3) . . . . ?
O83 C147 C148 O86 59(3) . . . . ?
C146 C147 C148 O86 -69(3) . . . . ?
O86 C148 O84 C149 59(3) . . . . ?
C147 C148 O84 C149 -62(3) . . . . ?
C148 O84 C149 C150 -177.0(19) . . . . ?
C148 O84 C149 C145 61(3) . . . . ?
O81 C145 C149 O84 -170.3(19) . . . . ?
C146 C145 C149 O84 -54(3) . . . . ?
O81 C145 C149 C150 73(3) . . . . ?
C146 C145 C149 C150 -171(2) . . . . ?
O84 C149 C150 O85 70(3) . . . . ?
C145 C149 C150 O85 -171(2) . . . . ?
O84 C148 O86 C151 94(3) . . . . ?
C147 C148 O86 C151 -143(2) . . . . ?
C148 O86 C151 C155 -116(4) . . . . ?
C148 O86 C151 C152 107(3) . . . . ?
O86 C151 C152 O87 -23(5) . . . . ?
C155 C151 C152 O87 -162(4) . . . . ?
O86 C151 C152 C153 119(3) . . . . ?
C155 C151 C152 C153 -19(5) . . . . ?
O87 C152 C153 O88 -49(4) . . . . ?
C151 C152 C153 O88 165(4) . . . . ?
O87 C152 C153 C154 -180(3) . . . . ?
C151 C152 C153 C154 35(4) . . . . ?
O88 C153 C154 O89 -133(3) . . . . ?
C152 C153 C154 O89 -4(4) . . . . ?
O88 C153 C154 O91 110(3) . . . . ?
C152 C153 C154 O91 -120(3) . . . . ?
O91 C154 O89 C155 63(4) . . . . ?
C153 C154 O89 C155 -46(4) . . . . ?
C154 O89 C155 C156 -172(3) . . . . ?
C154 O89 C155 C151 61(4) . . . . ?
O86 C151 C155 O89 -162(3) . . . . ?
C152 C151 C155 O89 -27(5) . . . . ?
O86 C151 C155 C156 73(5) . . . . ?
C152 C151 C155 C156 -152(4) . . . . ?
O89 C155 C156 O90 61(5) . . . . ?
C151 C155 C156 O90 -174(5) . . . . ?
O89 C154 O91 C157 125(4) . . . . ?
C153 C154 O91 C157 -113(4) . . . . ?
C154 O91 C157 C161 -113(3) . . . . ?
C154 O91 C157 C158 126(3) . . . . ?
O91 C157 C158 O92 -82(4) . . . . ?
C161 C157 C158 O92 165(3) . . . . ?
O91 C157 C158 C159 161(3) . . . . ?
C161 C157 C158 C159 49(4) . . . . ?
O92 C158 C159 O93 61(3) . . . . ?
C157 C158 C159 O93 179(3) . . . . ?
O92 C158 C159 C160 -167(2) . . . . ?
C157 C158 C159 C160 -49(3) . . . . ?
O93 C159 C160 O94 -170(2) . . . . ?
C158 C159 C160 O94 57(3) . . . . ?
O93 C159 C160 O96 72(2) . . . . ?
C158 C159 C160 O96 -61(3) . . . . ?
O96 C160 O94 C161 53(3) . . . . ?
C159 C160 O94 C161 -60(3) . . . . ?
C160 O94 C161 C162 -179(2) . . . . ?
C160 O94 C161 C157 59(3) . . . . ?
O91 C157 C161 O94 -174(3) . . . . ?
C158 C157 C161 O94 -54(4) . . . . ?
O91 C157 C161 C162 71(4) . . . . ?
C158 C157 C161 C162 -170(3) . . . . ?
O94 C161 C162 O95 -76(3) . . . . ?
C157 C161 C162 O95 43(4) . . . . ?
O94 C160 O96 C127 109(2) . . . . ?
C159 C160 O96 C127 -132.7(19) . . . . ?
C131 C127 O96 C160 -117(2) . . . . ?
C128 C127 O96 C160 124(2) . . . . ?
O126 C163 C164 O97 -73(2) . . . . ?
C167 C163 C164 O97 170(2) . . . . ?
O126 C163 C164 C165 172(2) . . . . ?
C167 C163 C164 C165 55(3) . . . . ?
O97 C164 C165 O98 62(3) . . . . ?
C163 C164 C165 O98 178(2) . . . . ?
O97 C164 C165 C166 -173(2) . . . . ?
C163 C164 C165 C166 -57(2) . . . . ?
O98 C165 C166 O99 -170(2) . . . . ?
C164 C165 C166 O99 61(2) . . . . ?
O98 C165 C166 O101 69(2) . . . . ?
C164 C165 C166 O101 -60(2) . . . . ?
O101 C166 O99 C167 60(2) . . . . ?
C165 C166 O99 C167 -59(2) . . . . ?
C166 O99 C167 C168 177.2(17) . . . . ?
C166 O99 C167 C163 55(2) . . . . ?
O126 C163 C167 O99 -167.6(18) . . . . ?
C164 C163 C167 O99 -54(3) . . . . ?
O126 C163 C167 C168 75(2) . . . . ?
C164 C163 C167 C168 -171(2) . . . . ?
O99 C167 C168 O100 -66(3) . . . . ?
C163 C167 C168 O100 56(3) . . . . ?
O99 C166 O101 C169 112(2) . . . . ?
C165 C166 O101 C169 -124.9(18) . . . . ?
C166 O101 C169 C170 130.4(17) . . . . ?
C166 O101 C169 C173 -109.7(19) . . . . ?
O101 C169 C170 O102 -66(2) . . . . ?
C173 C169 C170 O102 176.6(17) . . . . ?
O101 C169 C170 C171 171.2(15) . . . . ?
C173 C169 C170 C171 53(2) . . . . ?
O102 C170 C171 O103 56(2) . . . . ?
C169 C170 C171 O103 -179.4(16) . . . . ?
O102 C170 C171 C172 -178.2(15) . . . . ?
C169 C170 C171 C172 -53.4(19) . . . . ?
O103 C171 C172 O104 -175.8(15) . . . . ?
C170 C171 C172 O104 56.5(19) . . . . ?
O103 C171 C172 O106 64.1(19) . . . . ?
C170 C171 C172 O106 -63.6(17) . . . . ?
O106 C172 O104 C173 55.1(19) . . . . ?
C171 C172 O104 C173 -62.2(19) . . . . ?
C172 O104 C173 C174 -178.7(14) . . . . ?
C172 O104 C173 C169 60.2(19) . . . . ?
O101 C169 C173 O104 -170.1(14) . . . . ?
C170 C169 C173 O104 -53(2) . . . . ?
O101 C169 C173 C174 73(2) . . . . ?
C170 C169 C173 C174 -170.6(16) . . . . ?
O104 C173 C174 O105 -65(2) . . . . ?
C169 C173 C174 O105 52(2) . . . . ?
O104 C172 O106 C175 121.8(16) . . . . ?
C171 C172 O106 C175 -118.9(16) . . . . ?
C172 O106 C175 C179 -112.5(18) . . . . ?
C172 O106 C175 C176 127.7(18) . . . . ?
O106 C175 C176 O107 -81(2) . . . . ?
C179 C175 C176 O107 163(2) . . . . ?
O106 C175 C176 C177 162.7(19) . . . . ?
C179 C175 C176 C177 47(3) . . . . ?
O107 C176 C177 O108 66(3) . . . . ?
C175 C176 C177 O108 -175(2) . . . . ?
O107 C176 C177 C178 -170(2) . . . . ?
C175 C176 C177 C178 -51(3) . . . . ?
O108 C177 C178 O109 -176(2) . . . . ?
C176 C177 C178 O109 62(2) . . . . ?
O108 C177 C178 O111 58(2) . . . . ?
C176 C177 C178 O111 -64(2) . . . . ?
O111 C178 O109 C179 48(2) . . . . ?
C177 C178 O109 C179 -68(2) . . . . ?
C178 O109 C179 C180 -175.9(17) . . . . ?
C178 O109 C179 C175 64(2) . . . . ?
O106 C175 C179 O109 -166.0(15) . . . . ?
C176 C175 C179 O109 -52(2) . . . . ?
O106 C175 C179 C180 79(2) . . . . ?
C176 C175 C179 C180 -167(2) . . . . ?
O109 C179 C180 O110 60(2) . . . . ?
C175 C179 C180 O110 177(2) . . . . ?
O109 C178 O111 C181 101(2) . . . . ?
C177 C178 O111 C181 -140.6(19) . . . . ?
C178 O111 C181 C182 130(2) . . . . ?
C178 O111 C181 C185 -108(2) . . . . ?
O111 C181 C182 O112 -60(2) . . . . ?
C185 C181 C182 O112 176(2) . . . . ?
O111 C181 C182 C183 178.8(18) . . . . ?
C185 C181 C182 C183 55(3) . . . . ?
O112 C182 C183 O113 63(3) . . . . ?
C181 C182 C183 O113 -177(2) . . . . ?
O112 C182 C183 C184 -175.2(19) . . . . ?
C181 C182 C183 C184 -56(2) . . . . ?
O113 C183 C184 O114 -179(2) . . . . ?
C182 C183 C184 O114 61(3) . . . . ?
O113 C183 C184 O116 60(3) . . . . ?
C182 C183 C184 O116 -60(2) . . . . ?
O116 C184 O114 C185 54(3) . . . . ?
C183 C184 O114 C185 -63(3) . . . . ?
C184 O114 C185 C186 177(2) . . . . ?
C184 O114 C185 C181 57(3) . . . . ?
O111 C181 C185 O114 -169(2) . . . . ?
C182 C181 C185 O114 -53(3) . . . . ?
O111 C181 C185 C186 77(3) . . . . ?
C182 C181 C185 C186 -168(2) . . . . ?
O114 C185 C186 O115 -65(4) . . . . ?
C181 C185 C186 O115 51(4) . . . . ?
O114 C184 O116 C187 99(3) . . . . ?
C183 C184 O116 C187 -139(2) . . . . ?
C184 O116 C187 C191 -117(3) . . . . ?
C184 O116 C187 C188 125(2) . . . . ?
C191 C187 C188 O117 175(3) . . . . ?
O116 C187 C188 O117 -73(3) . . . . ?
C191 C187 C188 C189 52(4) . . . . ?
O116 C187 C188 C189 164(3) . . . . ?
O117 C188 C189 O118 57(4) . . . . ?
C187 C188 C189 O118 -177(3) . . . . ?
O117 C188 C189 C190 -174(3) . . . . ?
C187 C188 C189 C190 -49(3) . . . . ?
O118 C189 C190 O119 -179(3) . . . . ?
C188 C189 C190 O119 53(3) . . . . ?
O118 C189 C190 O121 58(3) . . . . ?
C188 C189 C190 O121 -70(3) . . . . ?
O121 C190 O119 C191 59(3) . . . . ?
C189 C190 O119 C191 -58(3) . . . . ?
C190 O119 C191 C192 -176(2) . . . . ?
C190 O119 C191 C187 56(3) . . . . ?
O116 C187 C191 O119 -158(2) . . . . ?
C188 C187 C191 O119 -54(4) . . . . ?
O116 C187 C191 C192 80(4) . . . . ?
C188 C187 C191 C192 -175(3) . . . . ?
O119 C191 C192 O120 -75(4) . . . . ?
C187 C191 C192 O120 47(5) . . . . ?
O119 C190 O121 C193 114(3) . . . . ?
C189 C190 O121 C193 -123(3) . . . . ?
C190 O121 C193 C197 -94(3) . . . . ?
C190 O121 C193 C194 139(3) . . . . ?
O121 C193 C194 O122 -78(4) . . . . ?
C197 C193 C194 O122 159(3) . . . . ?
O121 C193 C194 C195 164(3) . . . . ?
C197 C193 C194 C195 41(4) . . . . ?
O122 C194 C195 O123 71(3) . . . . ?
C193 C194 C195 O123 -170(3) . . . . ?
O122 C194 C195 C196 -161(3) . . . . ?
C193 C194 C195 C196 -42(3) . . . . ?
O123 C195 C196 O124 -178(2) . . . . ?
C194 C195 C196 O124 53(3) . . . . ?
O123 C195 C196 O126 59(3) . . . . ?
C194 C195 C196 O126 -70(3) . . . . ?
O126 C196 O124 C197 55(3) . . . . ?
C195 C196 O124 C197 -61(3) . . . . ?
C196 O124 C197 C198 -173(2) . . . . ?
C196 O124 C197 C193 57(3) . . . . ?
O121 C193 C197 O124 -169(3) . . . . ?
C194 C193 C197 O124 -47(4) . . . . ?
O121 C193 C197 C198 68(4) . . . . ?
C194 C193 C197 C198 -170(3) . . . . ?
O124 C197 C198 O125 -82(3) . . . . ?
C193 C197 C198 O125 43(4) . . . . ?
O124 C196 O126 C163 99(3) . . . . ?
C195 C196 O126 C163 -139(2) . . . . ?
C167 C163 O126 C196 -111(2) . . . . ?
C164 C163 O126 C196 130(2) . . . . ?

_refine_diff_density_max         11.881
_refine_diff_density_min         -19.973
_refine_diff_density_rms         0.584



